Brightway Flows 1.0
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Trifluoromethanesulfonic Acid

fo-3cf6844be89ccf8f

Identity

Type
Neutral molecule
CAS
1493-13-6
EC
216-087-5
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Trifluoromethanesulfonic Acid

Alternative labels

16

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string ITMCEJHCFYSIIV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/CHF3O3S/c2-1(3,4)8(5,6)7/h(H,5,6,7)
IUPAC name chemrof:IUPAC_name Trifluoromethanesulfonic Acid
Molecular formula chemrof:molecular_formula CHF3O3S
Molecular mass chemrof:molecular_mass 150.077
Monoisotopic mass chemrof:monoisotopic_mass 149.95985
SMILES string chemrof:smiles_string O=S(=O)(O)C(F)(F)F

Known URLs

14

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
beilstein beilstein:1812100 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=1493-13-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:48511 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.014.625 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2044397 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1236265 enrich_references.pubchem_identifier_url
gmelin gmelin:2805 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JE2SY203E8 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J12.301C enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=47395 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/62406 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q304850 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Triflic_acid enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Trifluoromethanesulfonic_acid enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9dc6d31a-e04f-4a1d-8c29-1466e9307a5c Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f392adfd-6547-4c23-8d48-086885f9db9c Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
53d56c19-ed9b-4228-a2af-a36ca1b9be59 Environmental → Air → Indoor EF 3.1 kg 4
322ce47c-820c-41c5-be32-5f0c82699b07 Environmental → Air → Long-term EF 3.1 kg 0
78669955-a975-4fe4-b948-c3c066f42757 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b5dcb34a-2c62-43c5-a2dc-0f4daf863688 Environmental → Air → Unknown EF 3.1 kg 4
487c73cf-0d87-401c-b2ad-bbec70ec296e Environmental → Ground → Agricultural EF 3.1 kg 4
ade345fc-7e7f-4500-878d-fb14249d30fa Environmental → Ground → Non-agricultural EF 3.1 kg 4
21a5694f-32b3-40e9-9287-e5bd37e3f9b7 Environmental → Ground → Unknown EF 3.1 kg 4
52db01dc-772d-4ba5-8331-7ef01ef55af1 Environmental → Water → Long-term EF 3.1 kg 0
9982b054-07e1-48b1-8e88-5eddef42b02e Environmental → Water → Ocean EF 3.1 kg 4
afd937c2-0faf-4978-959c-425a9b72f045 Environmental → Water → Surface water EF 3.1 kg 4
941525d2-d3cb-42b1-b9c6-cd2530dc89d7 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-3cf6844be89ccf8f",
  "prefLabel": [
    {
      "@value": "Trifluoromethanesulfonic Acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,1,1-Trifluoro-1-methanesulfonic acid",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,1,1-trifluoromethanesulfonic acid",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "acide triflique",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "acide trifluoromethanesulfonique",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "CF3SO3H",
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    },
    {
      "@value": "Fluorad FC 24",
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    },
    {
      "@value": "Methanesulfonic acid, 1,1,1-trifluoro-",
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      }
    },
    {
      "@value": "Methanesulfonic acid, trifluoro-",
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      }
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    {
      "@value": "perfluoromethanesulfonic acid",
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    },
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    },
    {
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    },
    {
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    },
    {
      "@value": "trifluoromethanesulphonic acid",
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    },
    {
      "@value": "Trifluoromethylsulfonic acid",
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