Consensus flow list

Identity

Type
Neutral molecule
CAS
445-03-4
EC
207-151-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4-chloro-2-(trifluoromethyl)aniline

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CVINWVPRKDIGLL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5ClF3N/c8-4-1-2-6(12)5(3-4)7(9,10)11/h1-3H,12H2
IUPAC name chemrof:IUPAC_name 4-chloro-2-(trifluoromethyl)aniline
Molecular formula chemrof:molecular_formula C7H5ClF3N
Molecular mass chemrof:molecular_mass 195.571
Monoisotopic mass chemrof:monoisotopic_mass 195.006261
SMILES string chemrof:smiles_string Nc1ccc(Cl)cc1C(F)(F)F

Known URLs

6

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=445-03-4 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.503 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6060000 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.533D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/67961 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72434337 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b0a1fdc7-67b2-4ea8-ad5e-2d04d32cd6ae Environmental → Air → Aircraft cruise height EF 3.1 kg 2
70f043af-79d7-4750-bd58-95624e55307e Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
79f9b503-04ee-470d-ad7b-aebfefc91ba0 Environmental → Air → Indoor EF 3.1 kg 2
64841300-11a1-4c28-92a2-c538b117f1b2 Environmental → Air → Long-term EF 3.1 kg 0
6b5cf003-1920-4d57-9423-157f615ab288 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b25368fd-d3b1-4644-8130-4ff6c7ca120d Environmental → Air → Unknown EF 3.1 kg 2
b2a0d7f8-1f5c-4313-8390-366c27c60cd5 Environmental → Ground → Agricultural EF 3.1 kg 2
d7d8208e-1911-47bd-a1fe-b1fb5f896c04 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c2274463-01a3-4e41-a049-62085928601d Environmental → Ground → Unknown EF 3.1 kg 2
29521a52-6ee9-4153-b67b-8e932ca91280 Environmental → Water → Long-term EF 3.1 kg 0
bf1884b2-62fe-4834-8d35-a99e5b46ee99 Environmental → Water → Ocean EF 3.1 kg 2
af8b7ed5-eb5c-48c9-b4b1-664656060598 Environmental → Water → Surface water EF 3.1 kg 2
1a554585-cabe-4cd1-9e81-7669c51f4973 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-9d4c7f147734cd38",
  "prefLabel": [
    {
      "@value": "4-chloro-2-(trifluoromethyl)aniline",
      "@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": "1-Amino-4-chloro-2-trifluoromethylbenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=445-03-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Amino-5-chlorobenzotrifluoride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:445-03-4",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=445-03-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Trifluoromethyl-4-chloroaniline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=445-03-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chloro-2-(trifluoromethyl)benzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Chloro-α,α,α-trifluoro-o-toluidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Chloro-2-aminotrifluorotoluene",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "Benzenamine, 4-chloro-2-(trifluoromethyl)-",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "C.I. Azoic Diazo Component 17",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Diazo Fast Scarlet VD",
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        ],
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      }
    },
    {
      "@value": "Fast Scarlet Salt VD",
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        ],
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      }
    },
    {
      "@value": "Fast Scarlet VD Salt",
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          "https://commonchemistry.cas.org/detail?cas_rn=445-03-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "o-Toluidine, 4-chloro-α,α,α-trifluoro-",
      "@language": "en",
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      "provenance": {
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        ],
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    },
    {
      "@value": "Scarlet Salt NVD",
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      }
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  ],
  "properties": {
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    },
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  "@type": [
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}

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