Consensus flow list

Identity

Type
Neutral molecule
CAS
98-16-8
EC
202-643-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Α,α,α-trifluoro-m-toluidine

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VIUDTWATMPPKEL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H6F3N/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4H,11H2
IUPAC name chemrof:IUPAC_name 1-Amino-3-(trifluoromethyl)benzene
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 Nc1cccc(C(F)(F)F)c1

Known URLs

11

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=98-16-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.404 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9024512 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4540 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1162293 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z1RWM538YN enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.405A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7375 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2948 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q424934 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/3-(Trifluoromethyl)aniline enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
289f009c-7e6b-4115-baa1-a7d2c2db9e3f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d7f604e9-abc0-475c-bd46-5fcc7da84143 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ff8775df-27ea-4e1d-8c79-be7499b7fa47 Environmental → Air → Indoor EF 3.1 kg 2
47e39359-2a41-4eaf-a9a8-346951eca275 Environmental → Air → Long-term EF 3.1 kg 0
47ad5f1b-b611-49e1-be6c-4883b24aa062 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
3a952acc-8a34-472e-ad8e-0055cf889bd2 Environmental → Air → Unknown EF 3.1 kg 2
f1d0514a-49df-4dbd-aeef-894c1bee2505 Environmental → Ground → Agricultural EF 3.1 kg 2
4680e388-55b7-4926-b315-3bf47e3274a0 Environmental → Ground → Non-agricultural EF 3.1 kg 2
eb851977-a804-4809-9c51-f2696e278d98 Environmental → Ground → Unknown EF 3.1 kg 2
452b5fea-3ef0-4412-b50c-75b074338663 Environmental → Water → Long-term EF 3.1 kg 0
05465f0f-01e5-4302-9fb8-4de723fa6f44 Environmental → Water → Ocean EF 3.1 kg 2
b0075093-a4f9-471f-aae1-22176195a3f6 Environmental → Water → Surface water EF 3.1 kg 2
d6b25c86-334f-428e-aee9-d5bb9239bd2f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
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      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=98-16-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=98-16-8"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "202-643-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=202-643-4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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