Consensus flow list

Identity

Type
Neutral molecule
CAS
98-07-7
EC
202-634-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Benzotrichloride

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string XEMRAKSQROQPBR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5Cl3/c8-7(9,10)6-4-2-1-3-5-6/h1-5H
IUPAC name chemrof:IUPAC_name Benzotrichloride
Molecular formula chemrof:molecular_formula C7H5Cl3
Molecular mass chemrof:molecular_mass 195.476
Monoisotopic mass chemrof:monoisotopic_mass 193.94568, 193.945683
SMILES string chemrof:smiles_string ClC(Cl)(Cl)c1ccccc1

Known URLs

27

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=25838-95-3 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=30583-33-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=98-07-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82274 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.395 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.045.669 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0105 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1020148 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=14663 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1347516 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/U62VHG99AM enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.982I enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19166 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19166 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C29811 enrich_references.pubchem_identifier_url
patent patent:US1828858 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7367 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2226 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/106269 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/15318374 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21089811 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/21850111 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/3791187 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/6751993 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/8262817 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q426111 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Benzotrichloride enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
e2fb7a19-6555-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 6
4d9a8790-3ddd-11dd-9d7c-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 6
365e565a-a6c9-4cef-9847-ac17fd3fc2e0 Environmental → Air → Indoor EF 3.1 kg 6
4d9a8790-3ddd-11dd-9d7b-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9d7d-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 6
4d9a8790-3ddd-11dd-9d7a-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 6
fe0acd60-3ddc-11dd-a26a-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 6
4d9a8790-3ddd-11dd-9d81-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 6
4d9a8790-3ddd-11dd-9d79-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 6
4d9a8790-3ddd-11dd-9d7f-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-b112-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 6
4d9a8790-3ddd-11dd-9d7e-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 6
4d9a8790-3ddd-11dd-9d80-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 6

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-957d3db16b5d68d6",
  "prefLabel": [
    {
      "@value": "Benzotrichloride",
      "@language": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(trichloromethyl)benzene",
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      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "1-(trichloromethyl)benzene",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "alpha,alpha,alpha-trichlorotoluene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Benzene, (trichloromethyl)-",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenyl chloride",
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    },
    {
      "@value": "Benzenyl trichloride",
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    },
    {
      "@value": "Benzyl trichloride",
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      }
    },
    {
      "@value": "Benzylidyne chloride",
      "@language": "en",
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        "prov:wasAttributedTo": "consensus-flow-list",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "phenylchloroform",
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    },
    {
      "@value": "Phenyltrichloromethane",
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    },
    {
      "@value": "Toluene trichloride",
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    },
    {
      "@value": "Trichlorophenylmethane",
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    {
      "@value": "ω,ω,ω-Trichlorotoluene",
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          "prov:hadPrimarySource": [
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    },
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    },
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  "references": [
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