Consensus flow list

Identity

Type
NeutralMolecule
CAS
2136-89-2
EC
218-377-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-chloro-2-(trichloromethyl)benzene

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MFHPYLFZSCSNST-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H4Cl4/c8-6-4-2-1-3-5(6)7(9,10)11/h1-4H
IUPAC name chemrof:IUPAC_name 1-chloro-2-(trichloromethyl)benzene
Molecular formula chemrof:molecular_formula C7H4Cl4
Molecular mass chemrof:molecular_mass 229.921
Monoisotopic mass chemrof:monoisotopic_mass 227.906711
SMILES string chemrof:smiles_string Clc1ccccc1C(Cl)(Cl)Cl

Known URLs

8

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=2136-89-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.016.707 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50871863 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=59736 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XVP6GZV7JN enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J127.136I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/16494 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72517322 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c76399d2-2114-425e-9c0f-9b7adc0fad94 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
51ba758d-d1af-4593-97a5-c45a55635946 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2c8f704c-bfd6-45d6-a411-439d9fbfae65 Environmental → Air → Indoor EF 3.1 kg 2
637ecac9-4d14-425e-9d63-52fdf82ff975 Environmental → Air → Long-term EF 3.1 kg 0
9ac4f4f8-0e3a-4bfa-be56-aa80bec32060 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ef1144c7-d140-4cd1-b57d-a938a738f166 Environmental → Air → Unknown EF 3.1 kg 2
986bca3b-6e21-4737-9ff4-8e90263a7ecf Environmental → Ground → Agricultural EF 3.1 kg 2
a6afa23e-330f-490c-8cac-b0f39e081194 Environmental → Ground → Non-agricultural EF 3.1 kg 2
2db2f31d-c8bc-41b3-a496-c7d19813f03d Environmental → Ground → Unknown EF 3.1 kg 2
993b6a2d-8147-44fb-a8ee-5eb99198683d Environmental → Water → Long-term EF 3.1 kg 0
4a894d6a-05b6-4984-948d-c8dcf1c932ec Environmental → Water → Ocean EF 3.1 kg 2
73dd2711-aef0-4282-a3c6-1be028d21a97 Environmental → Water → Surface water EF 3.1 kg 2
ed9a8e82-32d8-449b-9a1d-f901c1970256 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-8e010bd5a0f58b15",
  "prefLabel": [
    {
      "@value": "1-chloro-2-(trichloromethyl)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Chlorobenzotrichloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2136-89-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2136-89-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzene, 1-chloro-2-(trichloromethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:2136-89-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=2136-89-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Chlorobenzotrichloride",
      "@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=2136-89-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Chlorobenzylidyne chloride",
      "@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=2136-89-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Chlorophenyltrichloromethane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Toluene, o,α,α,α-tetrachloro-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α,α,α,2-Tetrachlorotoluene",
      "@language": "en",
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      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
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      }
    }
  ],
  "properties": {
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        "C7H4Cl4"
      ],
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        ]
      },
      "rdfs:label": "Molecular formula",
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    },
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
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          ]
        },
        {
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      ],
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      },
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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      ],
      "attested_by": {
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      },
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  },
  "references": [
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  "@type": [
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}

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