Consensus flow list

Hexachlorobenzene

fo-9b897f9d2bfe8d4d

Identity

Type
NeutralMolecule
CAS
118-74-1
EC
204-273-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Hexachlorobenzene

What it is used for

5

Roles, not types. A substance bears as many as apply — sulfluramid is an insecticide and an acaricide — and each is a class ChEBI curates, asserted with ChEBI’s own has role. The narrow ones publish the broad ones alongside them, so a substance filed as a herbicide is a pesticide here too. See agricultural chemicals for what the axis is and which classes are published.

Role Definition Evidence
agrochemical CHEBI:33286 An agrochemical is a substance that is used in agriculture or horticulture. ChEBI
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI
fungicide CHEBI:24127 A substance used to destroy fungal pests. ChEBI
persistent organic pollutant CHEBI:77853 Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains. ChEBI
pesticide CHEBI:25944 Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. ChEBI

Alternative labels

22

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string CKAPSXZOOQJIBF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
IUPAC name chemrof:IUPAC_name Hexachlorobenzene
Molecular formula chemrof:molecular_formula C6Cl6
Molecular mass chemrof:molecular_mass 284.784
Monoisotopic mass chemrof:monoisotopic_mass 281.813116, 281.81312
SMILES string chemrof:smiles_string Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl

Known URLs

35

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=118-74-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:5692 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.886 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0895 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2020682 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9243 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL228514 enrich_references.pubchem_identifier_url
gmelin gmelin:27278 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4Z87H0LKUY enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0032566 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2903.92.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.911D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C11042 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C11042 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=74829 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44388 enrich_references.pubchem_identifier_url
ppdb ppdb:380 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8370 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2729 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=017533 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10641019 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/12117784 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/17150971 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23336922 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23462309 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23627767 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23747559 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23923419 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/23973543 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24148401 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24311623 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24365113 enrich_references.chebi_xrefs
reaxys reaxys:1912585 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q409682 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Hexachlorobenzene enrich_references.chebi_xrefs

Elementary flows

15
Flow Context Source Unit CFs
f2154a7e-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
08a91e70-3ddc-11dd-a2fd-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
c9dbda77-981f-492f-9c9e-4bb9b6d2c105 Environmental → Air → Indoor EF 3.1 kg 6
08a91e70-3ddc-11dd-a2fc-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-a2fe-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
08a91e70-3ddc-11dd-a2fb-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
08a91e70-3ddc-11dd-a2f9-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2bb-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
7ef4d322660768b19519f97511b75693b33c7451 Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
08a91e70-3ddc-11dd-a2fa-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2b9-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a2bc-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
026f8ba770754fc64bdf840cfdbcc86bc62732c2 Environmental → Water → River bafu algorithm addition kg 0
08a91e70-3ddc-11dd-a2ff-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
fe0acd60-3ddc-11dd-a2ba-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
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    {
      "@value": "Co-op Hexa",
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    },
    {
      "@value": "HCB (pesticide)",
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    },
    {
      "@value": "Hexachlorbenzol",
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      "@value": "Julin's carbon chloride",
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      "@value": "MeSH ID: D006581",
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    },
    {
      "@value": "No Bunt",
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    },
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    },
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      "@value": "No Bunt 80",
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    },
    {
      "@value": "No Bunt Liquid",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-74-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Pentachlorophenyl chloride",
      "@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=118-74-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "perchlorobenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "http://purl.obolibrary.org/obo/CHEBI_5692"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "phenyl perchloryl",
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      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_5692"
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Sanocide",
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      "provenance": {
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=118-74-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Snieciotox",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Zaprawa nasienna sneciotox",
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  "properties": {
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      "@id": "http://purl.obolibrary.org/obo/CHEBI_77853",
      "rdfs:label": "persistent organic pollutant",
      "http://www.w3.org/2004/02/skos/core#definition": "Any environmental contaminant that is resistant to environmental degradation through photolytic, biological or chemical processes. Such substances can have significant impact on health and the environment, as they persist in the environment, bioaccumulate in animal tissue and so biomagnify in food chains.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    },
    {
      "@id": "http://purl.obolibrary.org/obo/CHEBI_25944",
      "rdfs:label": "pesticide",
      "http://www.w3.org/2004/02/skos/core#definition": "Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_roles",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "ChEBI"
        ],
        "prov:wasDerivedFrom": "http://semanticscience.org/resource/CHEMINF_000446 -> ChEBI RO:0000087"
      }
    }
  ]
}

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