Brightway Flows 1.0
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Α,α,α-trifluoro-m-cresol

fo-3a5ae104e0ea9f64

Identity

Type
Neutral molecule
CAS
98-17-9
EC
202-645-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

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

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UGEJOEBBMPOJMT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H5F3O/c8-7(9,10)5-2-1-3-6(11)4-5/h1-4,11H
IUPAC name chemrof:IUPAC_name 3-(Trifluoromethyl)phenol
Molecular formula chemrof:molecular_formula C7H5F3O
Molecular mass chemrof:molecular_mass 162.11
Monoisotopic mass chemrof:monoisotopic_mass 162.029249
SMILES string chemrof:smiles_string Oc1cccc(C(F)(F)F)c1

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=98-17-9 enrich_references.consensus_cas_link
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:195128 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.405 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7052658 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9884 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL57877 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R2R9N38UDY enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.631C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7376 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72512198 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4f496fea-06fd-421a-8d51-37da909e1b6f Environmental → Air → Aircraft cruise height EF 3.1 kg 2
d5c4d753-5186-448c-ba5a-b0149ebc3e04 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
0fb2b6e0-1927-4ad4-8f94-72a3662c9541 Environmental → Air → Indoor EF 3.1 kg 2
8f96e616-c4b0-40c0-a36f-df1e12420266 Environmental → Air → Long-term EF 3.1 kg 0
25564e7f-ca45-42cf-86d3-a42f9478f183 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
e357e4ad-4fad-43ff-b0c9-82291f794556 Environmental → Air → Unknown EF 3.1 kg 2
23c16bf0-d0bf-4d4d-9fc7-22a43d8af472 Environmental → Ground → Agricultural EF 3.1 kg 2
09d922f1-565e-4071-98a8-da5fe279a8fd Environmental → Ground → Non-agricultural EF 3.1 kg 2
f631fac3-186c-4586-bbce-6ae2f0cf953a Environmental → Ground → Unknown EF 3.1 kg 2
a0c3b607-ec67-4e6c-b4cf-9ebe3bafba91 Environmental → Water → Long-term EF 3.1 kg 0
64088725-8739-421e-a66e-2e713d589f4d Environmental → Water → Ocean EF 3.1 kg 2
140e4a46-a217-4d02-9194-fae157655d07 Environmental → Water → Surface water EF 3.1 kg 2
080fb00f-36fa-4c51-92ac-b9064dabb252 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 
{
  "flow_object_id": "fo-3a5ae104e0ea9f64",
  "prefLabel": [
    {
      "@value": "Α,α,α-trifluoro-m-cresol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "3-(Trifluoromethyl)phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=98-17-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-Hydroxybenzotrifluoride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "5-Trifluoromethylphenol",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-(Trifluoromethyl)phenol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "m-Cresol, α,α,α-trifluoro-",
      "@language": "en",
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    },
    {
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}

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