Consensus flow list

Trichloroethene

fo-80094f51ae1490d4

Identity

Type
Neutral molecule
CAS
79-01-6
EC
201-167-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Trichloroethene

Alternative labels

44

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XSTXAVWGXDQKEL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C2HCl3/c3-1-2(4)5/h1H
IUPAC name chemrof:IUPAC_name Trichloroethene
Molecular formula chemrof:molecular_formula C2HCl3
Molecular mass chemrof:molecular_mass 131.389
Monoisotopic mass chemrof:monoisotopic_mass 129.91438, 129.914383
SMILES string chemrof:smiles_string ClC=C(Cl)Cl

Known URLs

39

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=27275-39-4 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=79-01-6 enrich_references.chebi_xrefs
cdc.gov https://www.cdc.gov/niosh-rtecs/KX456D70.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:16602 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.062 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0081 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0021383 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB13323 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3628 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3628 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL279816 enrich_references.pubchem_identifier_url
gmelin gmelin:184631 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/290YE8AR51 enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0029593 enrich_references.chebi_xrefs
hts.usitc.gov https://hts.usitc.gov/search?query=2903.22.00.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.408C enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C06790 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C06790 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-37096 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=43925 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C44459 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:TCV enrich_references.chebi_xrefs
pharmgkb.org https://www.pharmgkb.org/chemical/PA166115521 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL279816 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6575 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1710 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/10459493 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/11280697 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/14780843 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15019957 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/16641322 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24517489 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25278505 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/33930529 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8319644 enrich_references.chebi_xrefs
reaxys reaxys:1736782 enrich_references.chebi_xrefs
umbbd.compound umbbd.compound:c0009 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q407936 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Trichloroethylene enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
e2fb04c4-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 7
fe0acd60-3ddc-11dd-a414-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 7
5afbdbb2-5ccb-4396-84e4-e6465fab83d7 Environmental → Air → Indoor EF 3.1 kg 6
fe0acd60-3ddc-11dd-a413-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 3
fe0acd60-3ddc-11dd-a415-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 7
fe0acd60-3ddc-11dd-a412-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 7
fe0acd60-3ddc-11dd-a405-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a419-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fe0acd60-3ddc-11dd-a411-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
fe0acd60-3ddc-11dd-a417-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a41a-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
fe0acd60-3ddc-11dd-a416-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
26c2a6f37f62b57e05cc4dfa59732bd61277b558 Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
fe0acd60-3ddc-11dd-a418-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-80094f51ae1490d4",
  "prefLabel": [
    {
      "@value": "Trichloroethene",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1,2-trichloroethene",
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "1,1,2-Trichloroethylene",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1-dichloro-2-chloroethylene",
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      "provenance": {
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    {
      "@value": "acetylene trichloride",
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    },
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      "@value": "Chlorilen",
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    },
    {
      "@value": "Chlorylen",
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    },
    {
      "@value": "Densinfluat",
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    },
    {
      "@value": "Ethene, 1,1,2-trichloro-",
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      }
    },
    {
      "@value": "Ethene, trichloro-",
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      }
    },
    {
      "@value": "ethinyl trichloride",
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      }
    },
    {
      "@value": "ethylene trichloride",
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    },
    {
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    },
    {
      "@value": "Fluate",
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    {
      "@value": "Germalgene",
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      }
    },
    {
      "@value": "LPS HDX Heavy Duty Degreaser",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "MeSH ID: D014241",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Narcogen",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "Narkosoid",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "TCE",
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      }
    },
    {
      "@value": "TCE (chlorohydrocarbon)",
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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=79-01-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Threthylen",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-01-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Threthylene",
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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=79-01-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trethylene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-01-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-01-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "trichlor",
      "@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_16602"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Trichloraethen",
      "@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_16602"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Trichloraethylen",
      "@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_16602"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "trichloraethylenum pro narcosi",
      "@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_16602"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Trichloran",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:79-01-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=79-01-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Trichloren",
      "@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=79-01-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "trichlorethylene",
      "@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_16602"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Trichloroethylene",
      "@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_16602"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "trichloroethylenum",
      "@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_16602"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "triciene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
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