{ "Record": { "RecordType": "CID", "RecordNumber": 28211, "RecordTitle": "Cupric perchlorate", "Section": [ { "TOCHeading": "Structures", "Description": "Structure depictions of this compound, including computationally generated two-dimensional (2D) and three-dimensional (3D) structures, as well as experimentally determined 3D single-crystal structures.", "Section": [ { "TOCHeading": "2D Structure", "Description": "A two-dimensional (2D) structure representation of the compound. Because this structure is processed through chemical structure standardization (Hähnke et al., J. Cheminform. 2018, 10, 36), it is not necessarily the same as the structures provided by individual data contributors. ", "URL": "https://doi.org/10.1186/s13321-018-0293-8", "DisplayControls": { "MoveToTop": true }, "Information": [ { "ReferenceNumber": 16, "Value": { "Boolean": [ true ] } } ] }, { "TOCHeading": "3D Status", "Description": "The reason why three-dimensional (3D) conformers for this compound cannot be generated. PubChem generates 3D conformers for each compound that satisfies the following conditions: [1] not too large (with <= 50 non-hydrogen atoms), [2] not too flexible (with <= 15 rotatable bonds), [3] consisting of only supported elements (H, C, N, O, F, Si, P, S, Cl, Br, and I), [4] having only a single covalent unit (i.e., not a salt or a mixture), [5] contains only atom types recognized by the MMFF94s force field used for conformer generation, and [6] has fewer than six undefined atom or bond stereo centers. Compounds that do not satisfy any of these conditions are not considered for 3-D conformer generation. In some rare cases, a compound satisfies all conditions but the conformer generation for the compound fails for some reason. More detailed information on 3D conformer generation can be found in Kim et al., J. Cheminform. 2013, 5, 1.", "URL": "https://doi.org/10.1186/1758-2946-5-1", "Information": [ { "ReferenceNumber": 16, "Value": { "StringWithMarkup": [ { "String": "Conformer generation is disallowed since MMFF94s unsupported element, MMFF94s unsupported atom valence, mixture or salt" } ] } } ] } ] }, { "TOCHeading": "Primary Hazards", "Description": "Link to the Safety and Hazard section of this page and link to the Laboratory Chemical Safety Summary (LCSS) datasheet for this compound.", "DisplayControls": { "HideThisSection": true, "MoveToTop": true }, "Information": [ { "ReferenceNumber": 4, "Value": { "StringWithMarkup": [ { "String": " ", "Markup": [ { "Start": 0, "Length": 1, "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS03.svg", "Type": "Icon", "Extra": "Oxidizer" }, { "Start": 1, "Length": 1, "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS07.svg", "Type": "Icon", "Extra": "Irritant" }, { "Start": 2, "Length": 1, "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS09.svg", "Type": "Icon", "Extra": "Environmental Hazard" } ] } ] } } ] }, { "TOCHeading": "Names and Identifiers", "Description": "Chemical names, synonyms, identifiers, and descriptors.", "Section": [ { "TOCHeading": "Record Description", "Description": "Summary Information", "DisplayControls": { "HideThisSection": true, "MoveToTop": true }, "Information": [ { "ReferenceNumber": 15, "Value": { "StringWithMarkup": [ { "String": "RN given refers to parent cpd; structure given in first source" } ] } } ] }, { "TOCHeading": "Computed Descriptors", "Description": "Structural descriptors generated or computed for the structures of this compound, including the IUPAC name, InChI/InChIKey, and canonical/isomeric SMILES.", "Section": [ { "TOCHeading": "IUPAC Name", "Description": "Chemical name of this compound, computed from its structure based on the International Union of Pure and Applied Chemistry (IUPAC) nomenclature standards.", "URL": "https://iupac.org/what-we-do/nomenclature/", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by Lexichem TK 2.9.3 (PubChem release 2025.09.15)" ], "Value": { "StringWithMarkup": [ { "String": "copper diperchlorate" } ] } } ] }, { "TOCHeading": "InChI", "Description": "The International Chemical Identifier (InChI) is a computed, non-proprietary identifier for a chemical structure. The InChI is an International Union of Pure and Applied Chemistry (IUPAC) standard.", "URL": "https://iupac.org/who-we-are/divisions/division-details/inchi/", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by InChI 1.07.4 (PubChem release 2025.09.15)" ], "Value": { "StringWithMarkup": [ { "String": "InChI=1S/2ClHO4.Cu/c2*2-1(3,4)5;/h2*(H,2,3,4,5);/q;;+2/p-2" } ] } } ] }, { "TOCHeading": "InChIKey", "Description": "An InChIKey is a 27-character hash code derived from an InChI. The International Chemical Identifier (InChI) is a computed, non-proprietary identifier for a chemical structure. The InChI is an International Union of Pure and Applied Chemistry (IUPAC) standard. ", "URL": "https://iupac.org/who-we-are/divisions/division-details/inchi/", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by InChI 1.07.4 (PubChem release 2025.09.15)" ], "Value": { "StringWithMarkup": [ { "String": "YRNNKGFMTBWUGL-UHFFFAOYSA-L" } ] } } ] }, { "TOCHeading": "SMILES", "Description": "The Simplified Molecular Input Line Entry System (SMILES) is a widely-used line notation for chemical structures. The SMILES in this section includes both sterochemical and isotopic information.", "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/glossary#section=SMILES", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by OEChem 4.2.0 (PubChem release 2025.09.15)" ], "Value": { "StringWithMarkup": [ { "String": "[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.[Cu+2]" } ] } } ] } ] }, { "TOCHeading": "Molecular Formula", "Description": "A chemical formula is a way of expressing information about the proportions of atoms that constitute a particular chemical compound, using a single line of chemical element symbols and numbers. PubChem uses the Hill system, whereby the number of carbon atoms in a molecule is indicated first, the number of hydrogen atoms second, and then the number of all other chemical elements in alphabetical order. When the formula contains no carbon, all the elements, including hydrogen, are listed alphabetically. Sources other than PubChem may include a variant of the formula that is more structural or natural to chemists, for example, H2SO4 for sulfuric acid, rather than the Hill version H2O4S.", "URL": "https://pubs.acs.org/doi/abs/10.1021/ja02046a005", "DisplayControls": { "MoveToTop": true }, "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by PubChem 2.2 (PubChem release 2025.09.15)" ], "Value": { "StringWithMarkup": [ { "String": "Cl2CuO8" } ] } } ] }, { "TOCHeading": "Other Identifiers", "Description": "Other identifiers assigned to this chemical.", "Section": [ { "TOCHeading": "CAS", "Description": "A CAS Registry Number (also called CAS RN or CAS Number) is a proprietary registry number assigned by the Chemical Abstracts Service (CAS) division of the American Chemical Society (ACS). It is a numeric identifier that can contain up to 10 digits, divided by hyphens into three parts.", "URL": "https://www.cas.org/cas-data/cas-registry", "DisplayControls": { "ShowAtMost": 2 }, "Information": [ { "ReferenceNumber": 1, "Value": { "StringWithMarkup": [ { "String": "13770-18-8" } ] } }, { "ReferenceNumber": 2, "Value": { "StringWithMarkup": [ { "String": "13770-18-8" } ] } }, { "ReferenceNumber": 3, "Value": { "StringWithMarkup": [ { "String": "13770-18-8" } ] } }, { "ReferenceNumber": 5, "Value": { "StringWithMarkup": [ { "String": "13770-18-8" } ] } }, { "ReferenceNumber": 6, "Value": { "StringWithMarkup": [ { "String": "13770-18-8" } ] } } ] }, { "TOCHeading": "Related CAS", "Description": "The Chemical Abstract Service (CAS) registry numbers for related chemicals (e.g., parents, components, mixtures, salt forms, etc.)", "DisplayControls": { "ShowAtMost": 2 }, "Information": [ { "ReferenceNumber": 1, "Name": "", "Value": { "StringWithMarkup": [ { "String": "17031-32-2 (dihydrate)" } ] } } ] }, { "TOCHeading": "European Community (EC) Number", "Description": "The European Community (EC) number is a seven-digit identifier assigned by the European Chemicals Agency (ECHA) to substances for regulatory purposes within the European Union. EC numbers are sometimes referred to as EINECS, ELINCS, or NLP numbers, because the EC Inventory comprises three individual inventories (EINECS, ELINCS, and the NLP list).", "URL": "https://echa.europa.eu/information-on-chemicals/ec-inventory", "Information": [ { "ReferenceNumber": 5, "URL": "https://chem.echa.europa.eu/100.033.978", "Value": { "StringWithMarkup": [ { "String": "237-391-4" } ] } } ] }, { "TOCHeading": "UNII", "Description": "UNique Ingredient Identifier (UNII) code for this chemical. It is a non-proprietary registry number assigned by the U.S. Food and Drug Administration (FDA).", "URL": "https://www.fda.gov/industry/fda-data-standards-advisory-board/fdas-global-substance-registration-system", "Information": [ { "ReferenceNumber": 6, "URL": "https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IBE83VVE7T", "Value": { "StringWithMarkup": [ { "String": "IBE83VVE7T" } ] } } ] }, { "TOCHeading": "AIDS Number", "Description": "Substance identifier used in the NIAID ChemDB.", "URL": "https://chemdb.niaid.nih.gov/", "DisplayControls": { "ShowAtMost": 1 }, "Information": [ { "ReferenceNumber": 9, "URL": "https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=004153", "Value": { "StringWithMarkup": [ { "String": "004153" } ] } } ] }, { "TOCHeading": "DSSTox Substance ID", "Description": "Substance identifier used in the Distributed Structure-Searchable Toxicity (DSSTox) Database.", "URL": "https://www.epa.gov/chemical-research/distributed-structure-searchable-toxicity-dsstox-database", "Information": [ { "ReferenceNumber": 3, "URL": "https://comptox.epa.gov/dashboard/DTXSID40890720", "Value": { "StringWithMarkup": [ { "String": "DTXSID40890720" } ] } } ] }, { "TOCHeading": "Nikkaji Number", "Description": "Substance identifier used in the Japan Chemical Substance Dictionary (Nikkaji).", "URL": "https://jglobal.jst.go.jp/en/", "Information": [ { "ReferenceNumber": 8, "URL": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J43.806E", "Value": { "StringWithMarkup": [ { "String": "J43.806E" } ] } } ] }, { "TOCHeading": "Wikidata", "Description": "Wikidata entity identifier for the given compound.", "URL": "https://www.wikidata.org/w/index.php?title=Special:WhatLinksHere/Property:P662", "Information": [ { "ReferenceNumber": 12, "URL": "https://www.wikidata.org/wiki/Q15628157", "Value": { "StringWithMarkup": [ { "String": "Q15628157" } ] } } ] }, { "TOCHeading": "Wikipedia", "Description": "Wikidata entity identifier for this compound.", "Information": [ { "ReferenceNumber": 13, "URL": "https://en.wikipedia.org/wiki/Copper(II)_perchlorate", "Value": { "StringWithMarkup": [ { "String": "Copper(II) perchlorate" } ] } } ] } ] }, { "TOCHeading": "Synonyms", "Description": "Alternative names for this PubChem Compound record. A compound can have many different names. For example, acetone (CH3C(=O)CH3) is also known as propanone, propan-2-one, or dimethyl ketone. The brand name of a product is commonly used to indicate the primary chemical ingredient(s) in the product (e.g., Tylenol, a common pain killer, is often used for acetaminophen, its active ingredient). Another example of common synonyms is record identifiers used in different data collections, such as Chemical Abstract Service (CAS) registry numbers, FDA UNII (Unique Ingredient Identifiers), and many others. All these various names and identifiers that designate this compound are organized under the Synonyms section.", "Section": [ { "TOCHeading": "MeSH Entry Terms", "Description": "Medical Subject Heading (MeSH) names or identifiers matching this PubChem Compound record. The matching between the MeSH and compound records is performed by name matching (i.e., identical common names), as described in Kim et al., J. Cheminform., 2016, 8, 32.", "URL": "http://doi.org/10.1186/s13321-016-0142-6", "DisplayControls": { "ListType": "Columns" }, "Information": [ { "ReferenceNumber": 15, "Value": { "StringWithMarkup": [ { "String": "copper(II) perchlorate" } ] } } ] }, { "TOCHeading": "Depositor-Supplied Synonyms", "Description": "Chemical names provided by individual data contributors. Synonyms of Substances corresponding to a PubChem Compound record are combined. Some contributed names may be considered erroneous and filtered out. The link on each synonym shows which depositors provided that particular synonym for this structure.", "DisplayControls": { "ListType": "Columns", "MoveToTop": true }, "Information": [ { "ReferenceNumber": 16, "Value": { "StringWithMarkup": [ { "String": "Cupric perchlorate" }, { "String": "13770-18-8" }, { "String": "Copper(II) perchlorate" }, { "String": "Copper diperchlorate" }, { "String": "IBE83VVE7T" }, { "String": "Perchloric acid, copper(2+) salt" }, { "String": "Perchloric acid, copper(2+) salt (2:1)" }, { "String": "DTXSID40890720" }, { "String": "RefChem:580042" }, { "String": "DTXCID601031070" }, { "String": "237-391-4" }, { "String": "Copper perchlorate" }, { "String": "copper;diperchlorate" }, { "String": "copper bis(perchlorate)" }, { "String": "UNII-IBE83VVE7T" }, { "String": "EINECS 237-391-4" }, { "String": "Cu(II) perchlorate" }, { "String": "copper perchloric acid" }, { "String": "Cl2CuO8" }, { "String": "Perchloric acid copper(2+) salt (2:1)" }, { "String": "Copper (II) perchlorate" }, { "String": "Copper(2+) diperchlorate" }, { "String": "SCHEMBL156410" }, { "String": "CUPRIC PERCHLORATE [MI]" }, { "String": "SCHEMBL29763561" }, { "String": "YRNNKGFMTBWUGL-UHFFFAOYSA-L" }, { "String": "MFCD00661054" }, { "String": "AKOS015916154" }, { "String": "COPPER PERCHLORATE (CU(CLO4)2)" }, { "String": "DB-243295" }, { "String": "NS00084688" }, { "String": "Q15628157" } ] } } ] }, { "TOCHeading": "Removed Synonyms", "Description": "Potentially erroneous chemical names and identifiers provided by PubChem Substance records for the same chemical structure that were removed by name/structure consistency filtering.", "DisplayControls": { "HideThisSection": true }, "Information": [ { "ReferenceNumber": 16, "Value": { "StringWithMarkup": [ { "String": "Kupfer(II)-perchlorat" }, { "String": "2ClO4.Cu" }, { "String": "Copper(II) perchlorate hexahydrate" }, { "String": "AC1L1EUP" }, { "String": "2,2-Dimethylpropiophenone" }, { "String": "ClHO4.1/2Cu" }, { "String": "Cl2O8.Cu.2H2O" }, { "String": "cupric perchlorate dehydrate" }, { "String": "perchloricacid,copper(2++)salt" }, { "String": "Cl-H-O4.1/2Cu" }, { "String": "Cupric diperchlorate tetrahydrate" }, { "String": "Cl2-O8.Cu.2H2-O" }, { "String": "Cupric perchlorate, dehydrated" }, { "String": "Copper(II)perchloratehexahydrate" }, { "String": "CUPRIC PERCHLORATE 6H2O" }, { "String": "CTK4C0929" }, { "String": "Perchloric acid, copper(2) salt" }, { "String": "CID28211" }, { "String": "KS-00000UQ9" }, { "String": "5151AF" }, { "String": "COPPER(II) PERCHLORATE, DIHYDRATE" }, { "String": "cupric perchlorate, dehydrated reagent" }, { "String": "Cupric Perchlorate, Dehydrated, Reagent" }, { "String": "Perchloric acid, copper(II) salt, dihydrate" }, { "String": "LS-54916" }, { "String": "Perchloric acid,copper(2+) salt (2:1)" }, { "String": "Perchloric acid, copper(2) salt, dihydrate" }, { "String": "10294-46-9" }, { "String": "I14-52944" }, { "String": "Perchloric acid, copper(2+) salt, dihydrate (8CI,9CI)" }, { "String": "17031-32-2" } ] } } ] } ] }, { "TOCHeading": "Create Date", "Description": "Date when this compound record was created. For more information on various dates for PubChem records, visit the PubChem Record Dates help page.", "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/record-dates", "DisplayControls": { "HideThisSection": true, "MoveToTop": true }, "Information": [ { "ReferenceNumber": 16, "Value": { "DateISO8601": [ "2005-08-01" ] } } ] }, { "TOCHeading": "Modify Date", "Description": "Date when this compound record was last modified. For more information on various dates for PubChem records, visit the PubChem Record Dates help page.", "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/record-dates", "DisplayControls": { "HideThisSection": true, "MoveToTop": true }, "Information": [ { "ReferenceNumber": 16, "Value": { "DateISO8601": [ "2026-07-18" ] } } ] } ] }, { "TOCHeading": "Chemical and Physical Properties", "Description": "Various chemical and physical properties that are experimentally determined for this compound. See also the Safety and Hazard Properties section (if available), which has additional properties pertinent to chemical safety and hazards.", "Section": [ { "TOCHeading": "Computed Properties", "Description": "Properties of this compound computed from its molecular formula and structure.", "DisplayControls": { "CreateTable": { "FromInformationIn": "Subsections", "NumberOfColumns": 3, "ColumnHeadings": [ "Property Name", "Property Value", "Reference" ], "ColumnContents": [ "Name", "Value", "Reference" ] } }, "Section": [ { "TOCHeading": "Molecular Weight", "Description": "Molecular weight or molecular mass refers to the mass of a molecule. It is calculated as the sum of the mass of each constituent atom multiplied by the number of atoms of that element in the molecular formula. The molecular weight is also called the relative molar mass, because molecular weights are reported in daltons, which is defined relative to the mass of the isotope 12C (carbon 12).", "URL": "https://www.degruyter.com/document/doi/10.1515/pac-2017-1002/html?lang=en", "DisplayControls": { "MoveToTop": true }, "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by PubChem 2.2 (PubChem release 2025.09.15)" ], "Value": { "StringWithMarkup": [ { "String": "262.44" } ], "Unit": "g/mol" } } ] }, { "TOCHeading": "Hydrogen Bond Donor Count", "Description": "The number of hydrogen bond donors in this compound.", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by Cactvs 3.4.8.24 (PubChem release 2025.09.15)" ], "Value": { "Number": [ 0 ] } } ] }, { "TOCHeading": "Hydrogen Bond Acceptor Count", "Description": "The number of hydrogen bond acceptors in this compound.", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by Cactvs 3.4.8.24 (PubChem release 2025.09.15)" ], "Value": { "Number": [ 8 ] } } ] }, { "TOCHeading": "Rotatable Bond Count", "Description": "A rotatable bond is defined as any single-order non-ring bond, where atoms on either side of the bond are in turn bound to nonterminal heavy (i.e., non-hydrogen) atoms. That is, where rotation around the bond axis changes the overall shape of the molecule, and generates conformers which can be distinguished by standard fast spectroscopic methods.", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by Cactvs 3.4.8.24 (PubChem release 2025.09.15)" ], "Value": { "Number": [ 0 ] } } ] }, { "TOCHeading": "Exact Mass", "Description": "The exact mass of an isotopic species is obtained by summing the masses of the individual isotopes of the molecule.", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by PubChem 2.2 (PubChem release 2025.09.15)" ], "Value": { "StringWithMarkup": [ { "String": "260.826619" } ], "Unit": "Da" } } ] }, { "TOCHeading": "Monoisotopic Mass", "Description": "The monoisotopic mass is the sum of the masses of the atoms in a molecule using the unbound, ground-state, rest mass of the principal (most abundant) isotope for each element instead of the isotopic average mass.", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by PubChem 2.2 (PubChem release 2025.09.15)" ], "Value": { "StringWithMarkup": [ { "String": "260.826619" } ], "Unit": "Da" } } ] }, { "TOCHeading": "Topological Polar Surface Area", "Description": "The topological polar surface area (TPSA) is an estimate of the polar surface area (in Angstroms^2) of a molecule, computed as the surface sum over polar atoms in the molecule. The implementation follows the paper by Ertl et al. [J. Med. Chem. 2000, 43, 3714-3717]: only N and O are considered, 3D coordinates are not used, and there are various precomputed factors for different hybridizations, charges and participation in aromatic systems.", "URL": "https://pubmed.ncbi.nlm.nih.gov/11020286/", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by Cactvs 3.4.8.24 (PubChem release 2025.09.15)" ], "Value": { "Number": [ 149 ], "Unit": "Ų" } } ] }, { "TOCHeading": "Heavy Atom Count", "Description": "The number of heavy atoms (i.e., non-hydrogen atoms) in this compound.", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by PubChem" ], "Value": { "Number": [ 11 ] } } ] }, { "TOCHeading": "Formal Charge", "Description": "Formal charge is the difference between the number of valence electrons of each atom and the number of electrons the atom is associated with. Formal charge assumes any shared electrons are equally shared between the two bonded atoms.", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by PubChem" ], "Value": { "Number": [ 0 ] } } ] }, { "TOCHeading": "Complexity", "Description": "The complexity rating of a compound is a rough estimate of how complicated a structure is, seen from both the point of view of the elements contained and the displayed structural features including symmetry. This complexity rating is computed using the Bertz/Hendrickson/Ihlenfeldt formula.", "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/glossary#section=Complexity", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by Cactvs 3.4.8.24 (PubChem release 2025.09.15)" ], "Value": { "Number": [ 95.8 ] } } ] }, { "TOCHeading": "Isotope Atom Count", "Description": "Isotope atom count is the number of isotopes that are not most abundant for the corresponding chemical elements. Isotopes are variants of a chemical element which differ in neutron number. For example, among three isotopes of carbon (i.e., C-12, C-13, and C-14), the isotope atom count considers the C-13 and C-14 atoms, because C-12 is the most abundant isotope of carbon.", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by PubChem" ], "Value": { "Number": [ 0 ] } } ] }, { "TOCHeading": "Defined Atom Stereocenter Count", "Description": "An atom stereocenter, also known as a chiral center, is an atom that is attached to four different types of atoms (or groups of atoms) in the tetrahedral arrangement. It can have either (R)- or (S)- configurations. Some compounds, such as racemic mixtures, have an undefined atom stereocenter, whose (R/S)-configuration is not specifically defined. The \"defined atom stereocenter count\" is the number of atom stereocenters whose configurations are specifically defined. ", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by PubChem" ], "Value": { "Number": [ 0 ] } } ] }, { "TOCHeading": "Undefined Atom Stereocenter Count", "Description": "The number of atom stereocenters whose configurations are not specifically defined. For the definition of atom stereocenters, see the \"defined atom stereocenter count\" above.", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by PubChem" ], "Value": { "Number": [ 0 ] } } ] }, { "TOCHeading": "Defined Bond Stereocenter Count", "Description": "A bond stereocenter is a non-rotatable bond around which two atoms can have different arrangement (as in cis- and trans-forms of butene around its double bond). Some compounds have an undefined bond stereocenter, whose stereochemistry is not specifically defined. The \"defined bond stereocenter count\" is the number of bond stereocenters whose configurations are specifically defined. ", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by PubChem" ], "Value": { "Number": [ 0 ] } } ] }, { "TOCHeading": "Undefined Bond Stereocenter Count", "Description": "The number of bond stereocenters whose configurations are not specifically defined. For the definition of bond stereocenters, see the \"defined bond stereocenter count\" above.", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by PubChem" ], "Value": { "Number": [ 0 ] } } ] }, { "TOCHeading": "Covalently-Bonded Unit Count", "Description": "A covalently-bonded unit is a group of atoms connected by covalent bonds, ignoring other bond types (or a single atom without covalent bonds). The \"covalently-bonded unit count\" property is the number of such units in this compound compound.", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by PubChem" ], "Value": { "Number": [ 3 ] } } ] }, { "TOCHeading": "Compound Is Canonicalized", "Description": "Whether the compound has successfully passed PubChem's valence bond canonicalization procedure. Some large, complex, or highly symmetric structures may fail this process.", "Information": [ { "ReferenceNumber": 16, "Reference": [ "Computed by PubChem (release 2025.04.14)" ], "Value": { "StringWithMarkup": [ { "String": "Yes" } ] } } ] } ] }, { "TOCHeading": "Experimental Properties", "Description": "Various experimentally determined properties for this compound. See also the Safety and Hazard Properties section (if available), which has additional properties pertinent to chemical safety and hazards.", "Section": [ { "TOCHeading": "Physical Description", "Description": "The appearance or features of this compound, including color, odor, state, taste and more in general.", "Information": [ { "ReferenceNumber": 7, "Value": { "StringWithMarkup": [ { "String": "Pale green hygroscopic solid; [Merck Index]" } ] } } ] } ] }, { "TOCHeading": "Chemical Classes", "Description": "Chemical classes are groupings that relate chemicals by similar features. Chemicals can be classified by their structure (e.g., hydrocarbons), uses (e.g., pesticides), physical properties, radiological properties, or other factors.", "Information": [ { "ReferenceNumber": 7, "Value": { "StringWithMarkup": [ { "String": "Other Classes -> Perchlorates" } ] } } ] } ] }, { "TOCHeading": "Related Records", "Description": "Records related to this compound. This includes PubChem compound and substance records, as well as records in NCBI resources (e.g., PubMed, Gene, Protein Structure, and Taxonomy) and other databases external to NCBI.", "Section": [ { "TOCHeading": "Related Compounds with Annotation", "Description": "Compound records that are closely related to this record AND that have biomedical annotations. In essence, they are a subset of the compounds included in the \"Related Compounds\" section below this section. The \"Related Compounds\" include the parent, components, mixtures, and salt forms of this compound record as well as the \"similar compounds\" and \"similar conformers\", which are structurally similar to this record in terms of 2-D and 3-D chemical structure similarity measures, respectively, as explained in Kim et al., J. Cheminform. 2016, 8, 62.", "URL": "https://doi.org/10.1186/s13321-016-0163-1", "Information": [ { "ReferenceNumber": 16, "Value": { "StringWithMarkup": [ { "String": "Follow these links to do a live 2D search or do a live 3D search for this compound, sorted by annotation score. This section is deprecated (see the neighbor discontinuation help page for details), but these live search links provide equivalent functionality to the table that was previously shown here.", "Markup": [ { "Start": 22, "Length": 19, "URL": "https://pubchem.ncbi.nlm.nih.gov/#query=CID28211%20structure&tab=similarity&sort=annothitcnt" }, { "Start": 45, "Length": 19, "URL": "https://pubchem.ncbi.nlm.nih.gov/#query=CID28211%20structure&tab=similarity_3d&sort=annothitcnt" }, { "Start": 144, "Length": 38, "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/neighbor-discontinuation" } ] } ] } } ] }, { "TOCHeading": "Component Compounds", "Description": "Component parts of the compound when it consists of multiple covalently-bonded units. In PubChem, a covalently-bonded unit is a group of atoms connected by covalent bonds, ignoring other bond types (or single atom without covalent bonds).", "DisplayControls": { "MoveToTop": true }, "Information": [ { "ReferenceNumber": 16, "Value": { "StringWithMarkup": [ { "String": "CID 123351 (Perchlorate)", "Markup": [ { "Start": 0, "Length": 24, "URL": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?t=s&cid=123351", "Type": "Icon" }, { "Start": 0, "Length": 24, "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/123351" } ] }, { "String": "CID 23978 (Copper)", "Markup": [ { "Start": 0, "Length": 18, "URL": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?t=s&cid=23978", "Type": "Icon" }, { "Start": 0, "Length": 18, "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/23978" } ] }, { "String": "CID 24247 (Perchloric Acid)", "Markup": [ { "Start": 0, "Length": 27, "URL": "https://pubchem.ncbi.nlm.nih.gov/image/imgsrv.fcgi?t=s&cid=24247", "Type": "Icon" }, { "Start": 0, "Length": 27, "URL": "https://pubchem.ncbi.nlm.nih.gov/compound/24247" } ] } ] } } ] }, { "TOCHeading": "Related Compounds", "Description": "Compound records closely related to this record. It includes compounds which are the parent, components, mixtures, and salt forms of this compound record. It also includes the \"similar compounds\" and \"similar conformers\", which are structurally similar to this record in terms of 2-D and 3-D chemical structure similarity measures, respectively, as explained in Kim et al., J. Cheminform. 2016, 8, 62.", "URL": "https://doi.org/10.1186/s13321-016-0163-1", "DisplayControls": { "CreateTable": { "FromInformationIn": "ThisSection", "NumberOfColumns": 2, "ColumnContents": [ "Name", "Value" ] }, "ShowAtMost": 1 }, "Information": [ { "ReferenceNumber": 16, "Name": "Mixtures, Components, and Neutralized Forms Count", "URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/28211/cids/JSON?cids_type=component&list_return=redirect", "Value": { "Number": [ 3 ] } }, { "ReferenceNumber": 16, "Name": "Similar Compounds (2D)", "URL": "https://pubchem.ncbi.nlm.nih.gov/#query=CID28211%20structure&tab=similarity", "Value": { "StringWithMarkup": [ { "String": "View in PubChem Search" } ] } }, { "ReferenceNumber": 16, "Name": "Similar Conformers (3D)", "URL": "https://pubchem.ncbi.nlm.nih.gov/#query=CID28211%20structure&tab=similarity_3d", "Value": { "StringWithMarkup": [ { "String": "View in PubChem Search" } ] } } ] }, { "TOCHeading": "Substances", "Description": "Substance records associated with this record. In PubChem, the term \"substance\" refers to depositor-provided data for a chemical..", "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/substances", "Section": [ { "TOCHeading": "PubChem Reference Collection SID", "Description": "Substances from the special PubChem Reference Collection associated with this compound.", "DisplayControls": { "MoveToTop": true }, "Information": [ { "ReferenceNumber": 16, "URL": "https://pubchem.ncbi.nlm.nih.gov/substance/505575771", "Value": { "Number": [ 505575771 ] } } ] }, { "TOCHeading": "Related Substances", "Description": "Substance records related to this compound (e.g., the standardized chemical structures of these substances are the same as this compound or correspond to a mixture containing this compound as a component).", "DisplayControls": { "CreateTable": { "FromInformationIn": "ThisSection", "NumberOfColumns": 2, "ColumnContents": [ "Name", "Value" ] }, "ShowAtMost": 1 }, "Information": [ { "ReferenceNumber": 16, "Name": "Same Count", "URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/28211/sids/JSON?sids_type=standardized&list_return=redirect", "Value": { "Number": [ 55 ] } } ] }, { "TOCHeading": "Substances by Category", "Description": "Substances associated with this record, grouped by the category of the data sources who submitted the substances to PubChem (e.g., government organizations, chemical vendors, research and development, curation efforts, NIH initiatives, etc.).", "Information": [ { "ReferenceNumber": 16, "Value": { "ExternalDataURL": [ "https://pubchem.ncbi.nlm.nih.gov/rest/pug_view/categories/compound/28211/JSON" ] } } ] } ] }, { "TOCHeading": "Entrez Crosslinks", "Description": "Cross-references to associated records in other Entrez databases such as PubMed, Gene, Protein, etc.", "DisplayControls": { "CreateTable": { "FromInformationIn": "ThisSection", "NumberOfColumns": 2, "ColumnContents": [ "Name", "Value" ] }, "ShowAtMost": 1 }, "Information": [ { "ReferenceNumber": 16, "Name": "PubMed Count", "URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?LinkName=pccompound_pubmed&db=pccompound&cmd=Link&from_uid=28211", "Value": { "Number": [ 1 ] } } ] } ] }, { "TOCHeading": "Chemical Vendors", "Description": "A list of chemical vendors that sell this compound. Note that the order of chemical vendors on the list is randomized, and that PubChem do not endorse any of the vendors. Each vendor may have multiple products containing the same chemical, but different in various aspects, such as amount and purity. For each product, the external identifier used to locate the product on the vendor's website is provided under the Purchasable Chemical column, and clicking this identifier directs you to the vendor's website. The information on the product provided by the vendor to PubChem can be accessed at the Summary page of the corresponding PubChem Substance ID (SID). ", "Information": [ { "ReferenceNumber": 16, "Value": { "Boolean": [ true ] } } ] }, { "TOCHeading": "Use and Manufacturing", "Description": "This section provides information on the use and manufacturing information for this chemical, such as uses, consumption patterns, manufacturing methods, and U.S. imports/exports/production.", "Section": [ { "TOCHeading": "Uses", "Description": "Major uses of this chemical, including both consumer uses and industrial uses.", "Information": [ { "ReferenceNumber": 7, "Name": "Sources/Uses", "Reference": [ "Merck Index - O'Neil MJ, Heckelman PE, Dobbelaar PH, Roman KJ (eds). The Merck Index, An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th Ed. Cambridge, UK: The Royal Society of Chemistry, 2013." ], "ExtendedReference": [ { "Citation": "Merck Index - O'Neil MJ, Heckelman PE, Dobbelaar PH, Roman KJ (eds). The Merck Index, An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th Ed. Cambridge, UK: The Royal Society of Chemistry, 2013.", "Matched": { "PCLID": 900175655, "Citation": "Merck Index - O'Neil MJ, Heckelman PE, Dobbelaar PH, Roman KJ (eds). The Merck Index, An Encyclopedia of Chemicals, Drugs, and Biologicals, 15th Ed. 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For toxicity and related information, please see the Toxicity section.", "Section": [ { "TOCHeading": "Hazards Identification", "Description": "This section identifies the hazards of the chemical presented on the safety data sheet (SDS) and the appropriate warning information associated with those hazards. The information in this section includes, but are not limited to, the hazard classification of the chemical, signal word, pictograms, hazard statements and precautionary statements.", "URL": "https://www.osha.gov/sites/default/files/publications/OSHA3514.pdf", "Section": [ { "TOCHeading": "GHS Classification", "Description": "GHS (Globally Harmonized System of Classification and Labelling of Chemicals) is a United Nations system to identify hazardous chemicals and to inform users about these hazards. GHS has been adopted by many countries around the world and is now also used as the basis for international and national transport regulations for dangerous goods. The GHS hazard statements, class categories, pictograms, signal words, and the precautionary statements can be found on the PubChem GHS page.", "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/", "DisplayControls": { "CreateTable": { "FromInformationIn": "ThisSection", "NumberOfColumns": 2, "ColumnContents": [ "Name", "Value" ] }, "ShowAtMost": 1 }, "Information": [ { "ReferenceNumber": 4, "Name": "Pictogram(s)", "Value": { "StringWithMarkup": [ { "String": " ", "Markup": [ { "Start": 0, "Length": 1, "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS03.svg", "Type": "Icon", "Extra": "Oxidizer" }, { "Start": 1, "Length": 1, "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS07.svg", "Type": "Icon", "Extra": "Irritant" }, { "Start": 2, "Length": 1, "URL": "https://pubchem.ncbi.nlm.nih.gov/images/ghs/GHS09.svg", "Type": "Icon", "Extra": "Environmental Hazard" } ] } ] } }, { "ReferenceNumber": 4, "Name": "Signal", "Value": { "StringWithMarkup": [ { "String": "Danger", "Markup": [ { "Start": 0, "Length": 6, "Type": "Color", "Extra": "GHSDanger" } ] } ] } }, { "ReferenceNumber": 4, "Name": "GHS Hazard Statements", "Value": { "StringWithMarkup": [ { "String": "H272 (100%): May intensify fire; oxidizer [Danger Oxidizing liquids; Oxidizing solids]", "Markup": [ { "Start": 0, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#H272" }, { "Start": 43, "Length": 6, "Type": "Color", "Extra": "GHSDanger" } ] }, { "String": "H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]", "Markup": [ { "Start": 0, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#H315" }, { "Start": 37, "Length": 7, "Type": "Color", "Extra": "GHSWarning" } ] }, { "String": "H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]", "Markup": [ { "Start": 0, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#H319" }, { "Start": 44, "Length": 7, "Type": "Color", "Extra": "GHSWarning" } ] }, { "String": "H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]", "Markup": [ { "Start": 0, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#H335" }, { "Start": 47, "Length": 7, "Type": "Color", "Extra": "GHSWarning" } ] }, { "String": "H400 (92.9%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]", "Markup": [ { "Start": 0, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#H400" }, { "Start": 42, "Length": 7, "Type": "Color", "Extra": "GHSWarning" } ] }, { "String": "H410 (92.9%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]", "Markup": [ { "Start": 0, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#H410" }, { "Start": 68, "Length": 7, "Type": "Color", "Extra": "GHSWarning" } ] } ] } }, { "ReferenceNumber": 4, "Name": "Precautionary Statement Codes", "Value": { "StringWithMarkup": [ { "String": "P210, P220, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P391, P403+P233, P405, and P501 (click each P-code to see the statement)", "Markup": [ { "Start": 0, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P210" }, { "Start": 6, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P220" }, { "Start": 12, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P261" }, { "Start": 18, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P264" }, { "Start": 24, "Length": 9, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P264+P265" }, { "Start": 35, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P271" }, { "Start": 41, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P273" }, { "Start": 47, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P280" }, { "Start": 53, "Length": 9, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P302+P352" }, { "Start": 64, "Length": 9, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P304+P340" }, { "Start": 75, "Length": 14, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P305+P351+P338" }, { "Start": 91, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P319" }, { "Start": 97, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P321" }, { "Start": 103, "Length": 9, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P332+P317" }, { "Start": 114, "Length": 9, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P337+P317" }, { "Start": 125, "Length": 9, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P362+P364" }, { "Start": 136, "Length": 9, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P370+P378" }, { "Start": 147, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P391" }, { "Start": 153, "Length": 9, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P403+P233" }, { "Start": 164, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P405" }, { "Start": 174, "Length": 4, "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/#P501" } ] } ] } }, { "ReferenceNumber": 4, "Name": "ECHA C&L Notifications Summary", "Value": { "StringWithMarkup": [ { "String": "Aggregated GHS information provided per 14 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.", "Markup": [ { "Start": 0, "Length": 176, "Type": "Italics" } ] }, { "String": "Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.", "Markup": [ { "Start": 327, "Length": 20, "URL": "https://chem.echa.europa.eu/substance-search?searchText=237-391-4" }, { "Start": 0, "Length": 348, "Type": "Italics" } ] } ] } } ] }, { "TOCHeading": "Hazard Classes and Categories", "Description": "The Hazard Classes and Categories are aligned with GHS (Globally Harmonized System of Classification and Labelling of Chemicals) hazard statement codes. The percentage data in the parenthesis from ECHA indicates that the hazard classes and categories information are consolidated from multiple companies. Also, see the detailed explanation from the above GHS classification section.", "URL": "https://pubchem.ncbi.nlm.nih.gov/ghs/", "DisplayControls": { "ShowAtMost": 1 }, "Information": [ { "ReferenceNumber": 4, "Value": { "StringWithMarkup": [ { "String": "Ox. Sol. 2 (100%)" }, { "String": "Skin Irrit. 2 (100%)" }, { "String": "Eye Irrit. 2 (100%)" }, { "String": "STOT SE 3 (100%)" }, { "String": "Aquatic Acute 1 (92.9%)" }, { "String": "Aquatic Chronic 1 (92.9%)" } ] } } ] }, { "TOCHeading": "Hazards Summary", "Description": "This section provides an overview of the key hazards information of this compound.", "Information": [ { "ReferenceNumber": 7, "Value": { "StringWithMarkup": [ { "String": "Hexahydrate: An oxidizing agent that may cause fire on contact with combustible materials; An irritant; [MSDSonline] See Copper. See PERCHLORATES.", "Markup": [ { "Start": 121, "Length": 6, "URL": "https://pubchem.ncbi.nlm.nih.gov/element/Copper", "Type": "PubChem Internal Link", "Extra": "Element-Copper" } ] } ] } } ] } ] }, { "TOCHeading": "Exposure Control and Personal Protection", "Description": "This section provides information on the exposure limits, engineering controls, and personal protective measures that can be used to minimize worker exposure. The information in this section includes OSHA Permissible Exposure Limits (PELs), American Conference of Governmental Industrial Hygienists (ACGIH) Threshold Limit Values (TLVs), and any other exposure limit used or recommended by the chemical manufacturer, importer, or employer preparing the safety data sheet, where available. In addition, this section contains information on appropriate engineering controls (e.g., use local exhaust ventilation, or use only in an enclosed system) as well as recommendations for personal protective measures to prevent illness or injury from exposure to chemicals, such as personal protective equipment (PPE) (e.g., appropriate types of eye, face, skin or respiratory protection needed based on hazards and potential exposure).", "URL": "https://www.osha.gov/sites/default/files/publications/OSHA3514.pdf", "Information": [ { "ReferenceNumber": 7, "Name": "Maximum Allowable Concentration (MAK)", "Value": { "StringWithMarkup": [ { "String": "0.01 [mg/m3], respirable fraction (Cu, inorganic cmpnds)[German Research Foundation (DFG)]" } ] } } ], "Section": [ { "TOCHeading": "Permissible Exposure Limit (PEL)", "Description": "The permissible exposure limit (PEL) is the maximum amount or concentration of a chemical that a worker may be exposed to under OSHA regulations. The PEL can be given in three ways. [1] Time-weighted average (PEL-TWA): average exposure based on an 8h/day, 40h/week work schedule. [2] Short-term exposure limit (PEL-STEL): a 15-minute TWA exposure that should not be exceeded at any time during a workday. [3] Ceiling limit (PEL-C): absolute exposure limit that should not be exceeded at any time.", "URL": "https://www.osha.gov/annotated-pels/", "Information": [ { "ReferenceNumber": 7, "Value": { "StringWithMarkup": [ { "String": "1.0 [mg/m3], as Cu" } ] } } ] }, { "TOCHeading": "Immediately Dangerous to Life or Health (IDLH)", "Description": "The Immediately Dangerous to Life or Health air concentration values (IDLH values) characterize high-risk exposure concentrations and conditions and are used as a component of respirator selection criteria. IDLH values are established (1) to ensure that the worker can escape from a given contaminated environment in the event of failure of the respiratory protection equipment and (2) to indicate a maximum level above which only a highly reliable breathing apparatus, providing maximum worker protection, is permitted.", "URL": "https://www.cdc.gov/niosh/idlh/default.html", "Information": [ { "ReferenceNumber": 7, "Value": { "StringWithMarkup": [ { "String": "100.0 [mg/m3], as Cu" } ] } } ] }, { "TOCHeading": "Threshold Limit Values (TLV)", "Description": "The threshold limit value (TLV) of a chemical is an airborne concentration at which a worker can be exposed day after day for a working lifetime without adverse effect. There are three types of TLVs for chemicals. [1] Threshold limit value - time-weighted average (TLV-TWA): average exposure on the basis of a 8h/day, 40h/week work schedule. [2] Threshold limit value - short-term exposure limit (TLV-STEL): a 15-minute TWA exposure that should not be exceeded at any time during a workday, even if the 8-hour TWA is within the TLV-TWA. [3] Threshold limit value - ceiling limit (TLV-C): absolute exposure limit that should not be exceeded at any time. TLVs are developed by the American Conference of Governmental Industrial Hygienist. While TLVs are widely accepted occupational exposure limits, they are not standards enforced by the U.S. Government.", "URL": "https://www.acgih.org/science/tlv-bei-guidelines/tlv-chemical-substances-introduction/", "Information": [ { "ReferenceNumber": 7, "Value": { "StringWithMarkup": [ { "String": "1.0 [mg/m3], as Cu" } ] } } ] } ] } ] }, { "TOCHeading": "Toxicity", "Description": "Toxicity information related to this compound, including routes of exposure, related symptoms, acute and chronic effects, and numerical measures of toxicity.", "Section": [ { "TOCHeading": "Toxicological Information", "Description": "This section provides toxicological and health effects information for the chemical. It includes the likely routes of exposure (inhalation, ingestion, skin and eye contact), and the delayed, immediate, or chronic effects/symptoms from short- and long-term exposure, and the numerical measures of toxicity [e.g., acute toxicity estimates such as the LD50 (median lethal dose, the estimated amount of a chemical expected to kill 50% of test animals in a single dose)]. This section also includes information on whether the chemical is considered as a potential carcinogen according to authoritative sources such as the National Toxicology Program (NTP) Report on Carcinogens and the International agency for Research on Cancer (IARC) Monographs.", "Section": [ { "TOCHeading": "Adverse Effects", "Description": "An adverse effect is an undesired harmful effect resulting from a medical treatment or other intervention.", "Information": [ { "ReferenceNumber": 7, "Value": { "StringWithMarkup": [ { "String": "Methemoglobinemia - The presence of increased methemoglobin in the blood; the compound is classified as secondary toxic effect" } ] } } ] } ] } ] }, { "TOCHeading": "Literature", "Description": "Scientific articles associated with this compound. Some chemical-literature associations in this section are provided by data contributors or derived from MeSH annotations, as explained in Kim et al., J. Cheminform. 2016, 8, 32. This section also provides the lists of chemicals, genes/proteins, and diseases, that are co-mentioned in scientific articles, as described in Zaslavsky et al., Front. Res. Metr. Anal., 2021, 6, 689059.", "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/literature", "Section": [ { "TOCHeading": "Consolidated References", "Description": "The consolidated references include literature data from all sources including Springer Nature, Thieme Chemistry, Wiley, Nature journals, depositor provided citations, and NLM curated PubMed citations.", "URL": "https://pubchem.ncbi.nlm.nih.gov/docs/literature", "Information": [ { "ReferenceNumber": 16, "Value": { "ExternalTableName": "literature" } } ] }, { "TOCHeading": "NLM Curated PubMed Citations", "Description": "The NLM Curated PubMed Citations section links to all PubMed records that are tagged with the same MeSH term that has been associated with a particular compound.", "URL": "https://jcheminf.biomedcentral.com/articles/10.1186/s13321-016-0142-6", "Information": [ { "ReferenceNumber": 30, "URL": "https://www.ncbi.nlm.nih.gov/sites/entrez?LinkName=pccompound_pubmed_mesh&db=pccompound&cmd=Link&from_uid=28211", "Value": { "Boolean": [ true ] } } ] }, { "TOCHeading": "Springer Nature References", "Description": "Literature references related to scientific contents from Springer Nature journals and books. These references have been ranked automatically by an algorithm which calculates the relevance for each substance in a Springer Nature document. It is based on: (1) the TF-IDF, adapted to chemical structures, (2) location information in the text (e.g. title, abstract, keywords), and (3) the document size. Springer Nature aims to provide only highly qualitative and relevant content but references of lower relevance aren't withheld as they might contain also very useful information.", "Information": [ { "ReferenceNumber": 10, "Value": { "ExternalTableName": "collection=springernature&query_type=sid&query=341165428" } } ] }, { "TOCHeading": "Thieme References", "Description": "Literature references related to scientific contents from Thieme Chemistry journals and books. The Thieme Chemistry content within this section is provided under a CC-BY-NC-ND 4.0 license (https://creativecommons.org/licenses/by-nc-nd/4.0/), unless otherwise stated.", "Information": [ { "ReferenceNumber": 11, "Value": { "ExternalTableName": "collection=thiemechemistry&query_type=sid&query=516626477" } } ] }, { "TOCHeading": "Wiley References", "Description": "Literature references related to scientific contents from Wiley journals and books.", "URL": "https://pubchem.ncbi.nlm.nih.gov/source/23690", "Information": [ { "ReferenceNumber": 14, "Value": { "ExternalTableName": "collection=wiley&query_type=sid&query=386268187" } } ] }, { "TOCHeading": "Chemical Co-Occurrences in Literature", "Description": "Chemical co-occurrences in literature highlight chemicals mentioned together in scientific articles. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of publications and other statistics, with the most relevant mentions appearing at the top.", "URL": "https://doi.org/10.3389/frma.2021.689059", "Information": [ { "ReferenceNumber": 16, "Name": "Co-Occurrence Panel", "Value": { "StringWithMarkup": [ { "String": "ChemicalNeighbor" }, { "String": "Chemical" }, { "String": "ChemicalName_1" }, { "String": "ChemicalName_2" }, { "String": "SUMMARY_URL.cid" }, { "String": "CID" }, { "String": "CID" } ] } } ] }, { "TOCHeading": "Chemical-Gene Co-Occurrences in Literature", "Description": "Chemical-gene co-occurrences in the literature highlight chemical-gene pairs mentioned together in scientific articles. This may suggest that an important relationship exists between the two. Note that a co-occurring gene entity is organism non-specific and could refer to a gene, protein, or enzyme. Also note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of publications and other statistics, with the most relevant mentions appearing at the top.", "URL": "https://doi.org/10.3389/frma.2021.689059", "Information": [ { "ReferenceNumber": 16, "Name": "Co-Occurrence Panel", "Value": { "StringWithMarkup": [ { "String": "ChemicalGeneSymbolNeighbor" }, { "String": "Gene/Protein/Enzyme" }, { "String": "ChemicalName" }, { "String": "GeneSymbolName" }, { "String": "https://pubchem.ncbi.nlm.nih.gov/gene/SYMBOL:" }, { "String": "CID" }, { "String": "GeneSymbol" } ] } } ] }, { "TOCHeading": "Chemical-Disease Co-Occurrences in Literature", "Description": "Chemical-disease co-occurrences in literature highlight chemical-disease pairs mentioned together in scientific articles. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of publications and other statistics, with the most relevant mentions appearing at the top.", "URL": "https://doi.org/10.3389/frma.2021.689059", "Information": [ { "ReferenceNumber": 16, "Name": "Co-Occurrence Panel", "Value": { "StringWithMarkup": [ { "String": "ChemicalDiseaseNeighbor" }, { "String": "Disease" }, { "String": "ChemicalName" }, { "String": "DiseaseName" }, { "String": "https://meshb.nlm.nih.gov/record/ui?ui=" }, { "String": "CID" }, { "String": "MeSH" } ] } } ] }, { "TOCHeading": "Chemical-Organism Co-Occurrences in Literature", "Description": "Chemical-organism co-occurrences in literature highlight chemical-organism pairs mentioned together in scientific articles. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of publications and other statistics, with the most relevant mentions appearing at the top.", "Information": [ { "ReferenceNumber": 16, "Name": "Co-Occurrence Panel", "Value": { "StringWithMarkup": [ { "String": "ChemicalOrganismNeighbor" }, { "String": "Organism" }, { "String": "ChemicalName" }, { "String": "OrganismName" }, { "String": "https://pubchem.ncbi.nlm.nih.gov/taxonomy/" }, { "String": "CID" }, { "String": "TaxonomyID" } ] } } ] } ] }, { "TOCHeading": "Patents", "Description": "Patent applications/documents that mention this compound.", "DisplayControls": { "ListType": "Columns" }, "Section": [ { "TOCHeading": "Depositor-Supplied Patent Identifiers", "Description": "Patent identifiers provided by data depositors, along with information on those patents.", "Information": [ { "ReferenceNumber": 16, "Value": { "ExternalTableName": "patent" } }, { "ReferenceNumber": 16, "Value": { "StringWithMarkup": [ { "String": "Link to all deposited patent identifiers", "Markup": [ { "Start": 0, "Length": 40, "URL": "https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/cid/28211/xrefs/PatentID/TXT" } ] } ] } } ] }, { "TOCHeading": "WIPO PATENTSCOPE", "Description": "Use the provided link to show patents associated with this chemical structure in WIPO's PATENTSCOPE system.", "URL": "https://www.wipo.int/patentscope/en/", "Information": [ { "ReferenceNumber": 31, "Value": { "StringWithMarkup": [ { "String": "Patents are available for this chemical structure:" }, { "String": "https://patentscope.wipo.int/search/en/result.jsf?inchikey=YRNNKGFMTBWUGL-UHFFFAOYSA-L", "Markup": [ { "Start": 0, "Length": 86, "URL": "https://patentscope.wipo.int/search/en/result.jsf?inchikey=YRNNKGFMTBWUGL-UHFFFAOYSA-L" } ] } ] } } ] }, { "TOCHeading": "Chemical Co-Occurrences in Patents", "Description": "Chemical co-occurrences in patents highlight chemicals mentioned together in patent documents. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of patents and other statistics, with the most relevant mentions appearing at the top.", "Information": [ { "ReferenceNumber": 16, "Name": "Co-Occurrence Panel", "Value": { "StringWithMarkup": [ { "String": "PatentChemicalChemical" }, { "String": "Chemical" }, { "String": "ChemicalName" }, { "String": "NeighborName" }, { "String": "SUMMARY_URL.cid" }, { "String": "CID" }, { "String": "CID" } ] } } ] }, { "TOCHeading": "Chemical-Disease Co-Occurrences in Patents", "Description": "Disease co-occurrences in patents highlight chemicals and diseases mentioned together in patent documents. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of patents and other statistics, with the most relevant mentions appearing at the top.", "Information": [ { "ReferenceNumber": 16, "Name": "Co-Occurrence Panel", "Value": { "StringWithMarkup": [ { "String": "PatentChemicalDisease" }, { "String": "Disease" }, { "String": "ChemicalName" }, { "String": "NeighborName" }, { "String": "https://meshb.nlm.nih.gov/record/ui?ui=" }, { "String": "CID" }, { "String": "MeSH" } ] } } ] }, { "TOCHeading": "Chemical-Gene Co-Occurrences in Patents", "Description": "Gene co-occurrences in patents highlight chemicals and genes mentioned together in patent documents. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of patents and other statistics, with the most relevant mentions appearing at the top.", "Information": [ { "ReferenceNumber": 16, "Name": "Co-Occurrence Panel", "Value": { "StringWithMarkup": [ { "String": "PatentChemicalGene" }, { "String": "Gene" }, { "String": "ChemicalName" }, { "String": "NeighborName" }, { "String": "https://pubchem.ncbi.nlm.nih.gov/gene/SYMBOL:" }, { "String": "CID" }, { "String": "GeneSymbol" } ] } } ] }, { "TOCHeading": "Chemical-Organism Co-Occurrences in Patents", "Description": "Gene co-occurrences in patents highlight chemicals and organisms mentioned together in patent documents. This may suggest that an important relationship exists between the two. Please note that this content is not human curated. It is generated by text-mining algorithms that can be fooled such that a co-occurrence may be happenstance or a casual mention. The lists are ordered by relevancy as indicated by count of patents and other statistics, with the most relevant mentions appearing at the top.", "Information": [ { "ReferenceNumber": 16, "Name": "Co-Occurrence Panel", "Value": { "StringWithMarkup": [ { "String": "PatentChemicalOrganism" }, { "String": "Organism" }, { "String": "ChemicalName" }, { "String": "NeighborName" }, { "String": "https://pubchem.ncbi.nlm.nih.gov/taxonomy/" }, { "String": "CID" }, { "String": "TaxonomyID" } ] } } ] } ] }, { "TOCHeading": "Biological Test Results", "Description": "A PubChem substance or compound summary page displays biological test results from the PubChem BioAssay database, if/as available, for the chemical structure currently displayed. 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Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.", "LicenseURL": "https://echa.europa.eu/web/guest/legal-notice", "ANID": 2033372 }, { "ReferenceNumber": 6, "SourceName": "FDA Global Substance Registration System (GSRS)", "SourceID": "IBE83VVE7T", "Name": "CUPRIC PERCHLORATE", "Description": "The FDA Global Substance Registration System (GSRS) enables the efficient and accurate exchange of information on what substances are in regulated products. 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ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page.", "LicenseURL": "https://echa.europa.eu/web/guest/legal-notice", "ANID": 1854013, "SortOrder": 3014 }, { "ReferenceNumber": 7, "SourceName": "Haz-Map, Information on Hazardous Chemicals and Occupational Diseases", "SourceID": "hz9267", "Name": "Cupric perchlorate", "Description": "Haz-Map® is an occupational health database designed for health and safety professionals and for consumers seeking information about the adverse effects of workplace exposures to chemical and biological agents.", "URL": "https://haz-map.com/Agents/9267", "LicenseNote": "Copyright (c) 2022 Haz-Map(R). All rights reserved.\u000AUnless otherwise indicated, all materials from Haz-Map are copyrighted by Haz-Map(R). No part of these materials, either text or image may be used for any purpose other than for personal use. 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