Consensus flow list

Identity

Type
Neutral molecule
CAS
88-17-5
EC
201-806-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-(trifluoromethyl)aniline

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VBLXCTYLWZJBKA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6F3N/c8-7(9,10)5-3-1-2-4-6(5)11/h1-4H,11H2
IUPAC name chemrof:IUPAC_name 2-(trifluoromethyl)aniline
Molecular formula chemrof:molecular_formula C7H6F3N
Molecular mass chemrof:molecular_mass 161.126
Monoisotopic mass chemrof:monoisotopic_mass 161.045234
SMILES string chemrof:smiles_string Nc1ccccc1C(F)(F)F

Known URLs

10

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=88-17-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.642 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7058961 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=10336 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL249549 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/I1R59842CE enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J59.713I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6922 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2942 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27280261 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
68651093-6ff6-4705-bf5d-8363160179fd Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c5f9d1ba-df21-49f1-b81e-c3567f3e4773 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
5bbd472f-b3e7-45f5-840b-778f0044c546 Environmental → Air → Indoor EF 3.1 kg 2
504ef3ba-8066-4fe0-a5da-c05a33547185 Environmental → Air → Long-term EF 3.1 kg 0
3e6f930b-35d8-45c5-b60e-f8d08423b110 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
72971968-19b0-46dd-a71c-b5c82dc579f0 Environmental → Air → Unknown EF 3.1 kg 2
32132d6a-285d-4e6d-b4d1-9742ab3c5cff Environmental → Ground → Agricultural EF 3.1 kg 2
b6bf94d1-e6f9-455c-b8e9-18e3d4064e33 Environmental → Ground → Non-agricultural EF 3.1 kg 2
baddb60e-22de-4d20-9c01-32d938745a8d Environmental → Ground → Unknown EF 3.1 kg 2
307285eb-1c14-40bc-b82d-4e22575dd1f1 Environmental → Water → Long-term EF 3.1 kg 0
5d465e62-35d3-4ead-981c-c9801ddccfa2 Environmental → Water → Ocean EF 3.1 kg 2
29eef0d1-b372-4d30-8c79-a2d23993f3d7 Environmental → Water → Surface water EF 3.1 kg 2
d7251bc0-63bc-4fbf-8d92-031a39439c14 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-6d09cc8c313a619c",
  "prefLabel": [
    {
      "@value": "2-(trifluoromethyl)aniline",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(Trifluoromethyl)benzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "2-Amino-α,α,α-trifluorotoluene",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Aminobenzotrifluoride",
      "@language": "en",
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      "provenance": {
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      }
    },
    {
      "@value": "2-Trifluoromethylphenylamine",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenamine, 2-(trifluoromethyl)-",
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    },
    {
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    },
    {
      "@value": "o-Toluidine, α,α,α-trifluoro-",
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