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Tetrachloro-p-benzoquinone

fo-2082e994d5577bb9

Identity

Type
Neutral molecule
CAS
118-75-2
EC
204-274-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tetrachloro-p-benzoquinone

Alternative labels

33

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UGNWTBMOAKPKBL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6Cl4O2/c7-1-2(8)6(12)4(10)3(9)5(1)11
IUPAC name chemrof:IUPAC_name Tetrachloro-p-benzoquinone
Molecular formula chemrof:molecular_formula C6Cl4O2
Molecular mass chemrof:molecular_mass 245.876
Monoisotopic mass chemrof:monoisotopic_mass 243.86524
SMILES string chemrof:smiles_string O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl

Known URLs

23

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
beilstein beilstein:393006 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=118-75-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:36703 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.887 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0780 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2020266 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8432 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL192627 enrich_references.pubchem_identifier_url
gmelin gmelin:50924 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/01W5X7N5XV enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0250089 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.304J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C18933 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C18933 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=55466 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/Z5DRS12S6CCZ enrich_references.pubchem_identifier_url
ppdb ppdb:1297 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8371 enrich_references.pubchem_compound
PubMed https://pubmed.ncbi.nlm.nih.gov/11864786 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/19408893 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/20797618 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q629632 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Chloranil enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
430ae702-908f-4803-8461-aeb614edce91 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9788900a-f22d-4824-9a95-9fc719af1ee0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
441359f1-5cae-4336-bae9-6e12606cbe22 Environmental → Air → Indoor EF 3.1 kg 2
9a401e5d-b24b-4fea-8e51-260a264c4f4f Environmental → Air → Long-term EF 3.1 kg 0
7b88bf09-8502-4e72-bad3-008bfaa5e29f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1ce9fc51-e392-4200-8c9d-73874c9bab47 Environmental → Air → Unknown EF 3.1 kg 2
27713263-68dc-4efd-adba-006d0115e3bd Environmental → Ground → Agricultural EF 3.1 kg 2
8282cb5d-ba7b-46c6-be73-2cf68774c45f Environmental → Ground → Non-agricultural EF 3.1 kg 2
6d1d635714a84cfd9b15f91fd60db8d89b0365d6 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
d616a0e6-8f02-4fe0-812c-853b6b714c0e Environmental → Ground → Unknown EF 3.1 kg 2
d189610e-78cb-4513-926e-71a077e65309 Environmental → Water → Long-term EF 3.1 kg 0
db48816a-3d2c-4a8b-b96f-2ae12c6872b4 Environmental → Water → Ocean EF 3.1 kg 2
46ad034a-cbfa-451f-95f9-1333533eb35d Environmental → Water → Surface water EF 3.1 kg 2
a379814c-2806-4186-82f2-cffcb3bebf1d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-2082e994d5577bb9",
  "prefLabel": [
    {
      "@value": "Tetrachloro-p-benzoquinone",
      "@language": "en",
      "@lang": "en",
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,2,4,5-Tetrachlorobenzoquinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=118-75-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3,5,6-Tetrachlor-1,4-benzochinon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,3,5,6-Tetrachloro-1,4-(p-)-benzoquinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3,5,6-Tetrachloro-1,4-benzoquinone",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,3,5,6-tetrachloro-2,5-cyclohexadiene-1,4-dione",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2,3,5,6-tetrachloro-p-benzoquinone",
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      }
    },
    {
      "@value": "2,3,5,6-tetrachlorobenzo-1,4-quinone",
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    },
    {
      "@value": "2,3,5,6-Tetrachlorobenzoquinone",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,3,5,6-tetrachlorocyclohexa-2,5-diene-1,4-dione",
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    {
      "@value": "2,3,5,6-Tetrachlorocyclohexadiene-1,4-dione",
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        ],
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      }
    },
    {
      "@value": "2,3,5,6-Tetrachloroquinone",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,5-Cyclohexadiene-1,4-dione, 2,3,5,6-tetrachloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Actor CL",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "alpha-chloranil",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "chloranil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Coversan",
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      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-75-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dow Seed Disinfectant No. 5",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-75-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D002703",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-75-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Benzoquinone, 2,3,5,6-tetrachloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-75-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "p-Chloranil",
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      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_36703"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Psorisan",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:118-75-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-75-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Quinone tetrachloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:118-75-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-75-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Reranil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-75-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Spergon",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-75-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Spergon I",
      "@language": "en",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-75-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Spergon Technical",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-75-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "tetrachloro-1,4-benzoquinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "http://purl.obolibrary.org/obo/CHEBI_36703"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tetrachloro-p-quinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-75-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "tetrachlorobenzoquinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_36703"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "tetrachloroparabenzoquinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_36703"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Tetrachloroquinone",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-75-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Vulklor",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-75-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-Chloranil",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-75-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C6Cl4O2"
      ],
      "attested_by": {
        "C6Cl4O2": [
          "enrich_references.chebi_semantic",
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.chebi_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "chebi.basic_property_values.generalized_empirical_formula"
        },
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "O=C1C(Cl)=C(Cl)C(=O)C(Cl)=C1Cl"
          ]
        }
      ]
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