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Triclocarban

fo-a1b1c1d11ad405b0

Identity

Type
Neutral molecule
CAS
101-20-2
EC
202-924-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Triclocarban

What it is used for

1

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
environmental contaminant CHEBI:78298 Any minor or unwanted substance introduced into the environment that can have undesired effects. ChEBI

Alternative labels

26

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ICUTUKXCWQYESQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H9Cl3N2O/c14-8-1-3-9(4-2-8)17-13(19)18-10-5-6-11(15)12(16)7-10/h1-7H,(H2,17,18,19)
IUPAC name chemrof:IUPAC_name 1-(3',4'-dichlorophenyl)-3-(4'-chlorophenyl)urea
Molecular formula chemrof:molecular_formula C13H9Cl3N2O
Molecular mass chemrof:molecular_mass 315.587
Monoisotopic mass chemrof:monoisotopic_mass 313.978046, 313.97805
SMILES string chemrof:smiles_string O=C(Nc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1

Known URLs

31

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=101-20-2 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48347 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.659 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4026214 enrich_references.pubchem_identifier_url
DrugBank https://go.drugbank.com/drugs/DB11155 enrich_references.chebi_xrefs
drugbank.ca https://www.drugbank.ca/drugs/DB11155 enrich_references.pubchem_identifier_url
drugcentral drugcentral:3630 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/3630 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=72005 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1076347 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/BGG1Y1ED0Y enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0240702 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.108J enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/D06223 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/D06223 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56951 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C47770 enrich_references.pubchem_identifier_url
patent patent:GB769273 enrich_references.chebi_xrefs
patent patent:US2818390 enrich_references.chebi_xrefs
pharos.nih.gov https://pharos.nih.gov/ligands/DVWJJMKLZUPC enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL1076347 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7547 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=053795 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/18048496 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24461429 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24464075 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/24562054 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/30033524 enrich_references.chebi_xrefs
reaxys reaxys:2814890 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q416579 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Triclocarban enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
6f574f08-68ae-480e-885a-2b4bf3680cf8 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
be62712b-832b-4808-9dae-1ba7867899c1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
b2acda8d-c8bf-44ed-9e77-79db36dd9645 Environmental → Air → Indoor EF 3.1 kg 4
60854009-3898-4b4e-84ed-87bce9dd4f4d Environmental → Air → Long-term EF 3.1 kg 0
83188759-abf5-4ee6-bc42-df98faf57b66 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
bdfc6284-4c16-4369-84d4-f5143b54eb5c Environmental → Air → Unknown EF 3.1 kg 4
14caca19-3479-467b-a7e1-19d49611c7b0 Environmental → Ground → Agricultural EF 3.1 kg 4
0901a9ff-ac36-4e9c-a977-cac6cdf20ceb Environmental → Ground → Non-agricultural EF 3.1 kg 4
b42f47b9-3075-4c43-9b23-df68d398f1a4 Environmental → Ground → Unknown EF 3.1 kg 4
344d7753-7b94-4788-8641-ac85cc335663 Environmental → Water → Long-term EF 3.1 kg 0
3fdf1848-09a6-4117-9013-107ba2e1541d Environmental → Water → Ocean EF 3.1 kg 4
110197d3-6ef5-478f-95a8-c989d2726966 Environmental → Water → Surface water EF 3.1 kg 4
6023db5f-4523-43c2-b90e-24d9c6b92a34 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-a1b1c1d11ad405b0",
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  "altLabel": [
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    },
    {
      "@value": "1-(3′,4′-Dichlorophenyl)-3-(4′-chlorophenyl)urea",
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      }
    },
    {
      "@value": "1-(4-Chlorophenyl)-3-(3,4-dichlorophenyl) urea",
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    {
      "@value": "1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea",
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    },
    {
      "@value": "3,4,4'-trichloro carbanilide",
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    {
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    {
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    },
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    },
    {
      "@value": "3,4,4′-Trichlorodiphenylurea",
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    },
    {
      "@value": "3-(4-Chlorophenyl)-1-(3,4-dichlorophenyl)urea",
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      }
    },
    {
      "@value": "Carbanilide, 3,4,4′-trichloro-",
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        ],
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      }
    },
    {
      "@value": "Cusiter",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cuticura",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Cutisan",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Genoface",
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      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "N-(3,4-Dichlorophenyl)-N′-(4-chlorophenyl)urea",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "N-(4-chlorophenyl)-N'-(3,4-dichlorophenyl)urea",
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      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "N-(4-Chlorophenyl)-N′-(3,4-dichlorophenyl)urea",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=101-20-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Preventol SB",
      "@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=101-20-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Preventol SB extra",
      "@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=101-20-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Procutene",
      "@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=101-20-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Solubacter",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "TCC",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Trichlorocarban",
      "@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=101-20-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "triclocarbanum",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Urea, N-(4-chlorophenyl)-N′-(3,4-dichlorophenyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C13H9Cl3N2O"
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      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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