Consensus flow list

Identity

Type
Neutral molecule
CAS
79-95-8
EC
201-237-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Tetrachlorobisphenol A

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string KYPYTERUKNKOLP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H12Cl4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3
IUPAC name chemrof:IUPAC_name 2,2-Bis(4-hydroxy-3,5-dichlorophenyl)propane
Molecular formula chemrof:molecular_formula C15H12Cl4O2
Molecular mass chemrof:molecular_mass 366.071
Monoisotopic mass chemrof:monoisotopic_mass 363.95914
SMILES string chemrof:smiles_string CC(C)(c1cc(Cl)c(O)c(Cl)c1)c1cc(Cl)c(O)c(Cl)c1

Known URLs

15

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource URL Recorded by
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=79-95-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:35004 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.126 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3021770 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=18248 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=67465 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1738928 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/FO0P9ET4BN enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0258870 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J53.760H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C14528 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C14528 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6619 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=042393 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27116363 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e0361b75-4306-4890-bdc1-c0fe1519c3f4 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c0d728d4-55ca-4f82-ab2a-e5b79674c2cb Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0e8a2b25-72e4-492e-9de3-a0dd2f0575dd Environmental → Air → Indoor EF 3.1 kg 2
982b75d0-92b6-4ab6-ae54-11fccfd7df5a Environmental → Air → Long-term EF 3.1 kg 0
d289a159-ba95-4e1f-b948-74028c175053 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
a76a5ece-bd71-4679-bca5-13b7e8688760 Environmental → Air → Unknown EF 3.1 kg 2
2cecbe6c-f879-4afb-be51-ae75c94a307f Environmental → Ground → Agricultural EF 3.1 kg 2
c1bdc7e1-5ba3-4d96-8800-96494911ec30 Environmental → Ground → Non-agricultural EF 3.1 kg 2
6fbb772e-d45a-4e2a-bfc9-42ee73a94e1c Environmental → Ground → Unknown EF 3.1 kg 2
87afccb5-02b6-417a-a8bf-6a6518c2caae Environmental → Water → Long-term EF 3.1 kg 0
43f7c3d0-5158-480f-8e45-1906ae780d53 Environmental → Water → Ocean EF 3.1 kg 2
5dab6879-d158-493a-8b95-7cad21cb5ab1 Environmental → Water → Surface water EF 3.1 kg 2
ce46246c-b77f-46f6-a9fa-6f1c226cbfdf Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-eb8c61e4cb170de0",
  "prefLabel": [
    {
      "@value": "Tetrachlorobisphenol A",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "Common Chemistry / ChEBI primary name agreement"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2,2',6,6'-tetrachloro-4,4'-isopropylidenediphenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "original name retained as altLabel"
      }
    },
    {
      "@value": "2,2-Bis(3,5-dichloro-4-hydroxyphenyl)propane",
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    },
    {
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      }
    },
    {
      "@value": "2,2-Bis[3,5-dichloro-4-oxyphenyl]propane",
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      }
    },
    {
      "@value": "2,2′,6,6′-Tetrachloro-4,4′-isopropylidenediphenol",
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    },
    {
      "@value": "2,2′,6,6′-Tetrachlorobisphenol A",
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    },
    {
      "@value": "2,6-Dichloro-4-[2-(3,5-dichloro-4-hydroxyphenyl)propan-2-yl]phenol",
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    },
    {
      "@value": "3,3',5,5'-Tetrachlorobisphenol A",
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    },
    {
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    {
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    },
    {
      "@value": "4,4′-(1-Methylethylidene)bis[2,6-dichlorophenol]",
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      "@lang": "en",
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    },
    {
      "@value": "4,4′-Isopropylidenebis[2,6-dichlorophenol]",
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      }
    },
    {
      "@value": "Phenol, 4,4′-(1-methylethylidene)bis[2,6-dichloro-",
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    },
    {
      "@value": "Phenol, 4,4′-isopropylidenebis[2,6-dichloro-",
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    },
    {
      "@value": "Tetrachlorodian",
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      },
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  "references": [
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