Consensus flow list

Ethyl Trifluoroacetate

fo-cb0954cff18a358d

Identity

Type
Neutral molecule
CAS
383-63-1
EC
206-851-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Ethyl Trifluoroacetate

Alternative labels

8

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string STSCVKRWJPWALQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H5F3O2/c1-2-9-3(8)4(5,6)7/h2H2,1H3
IUPAC name chemrof:IUPAC_name Ethyl Trifluoroacetate
Molecular formula chemrof:molecular_formula C4H5F3O2
Molecular mass chemrof:molecular_mass 142.076
Monoisotopic mass chemrof:monoisotopic_mass 142.02416, 142.024164
SMILES string chemrof:smiles_string CCOC(=O)C(F)(F)F

Known URLs

12

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=383-63-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:192463 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.006.229 enrich_references.pubchem_identifier_url
ChemSpider https://www.chemspider.com/Chemical-Structure.9411.html enrich_references.chebi_xrefs
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8041959 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=220215 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185188 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/A6TZK6X11X enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J139.766D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9794 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27273701 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Ethyl_trifluoroacetate enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
7117fb17-d2f4-4bfc-9bb4-0815871a049e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c87b57e9-4fbb-4664-9f83-ba2e31c12309 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
e5ebc99f-9789-4f92-ade0-e6f9ceb164f9 Environmental → Air → Indoor EF 3.1 kg 4
86331b24-d23a-42c2-aca0-d7c3d338645f Environmental → Air → Long-term EF 3.1 kg 2
a763dfbe-886f-400e-9ed4-fc9fd8d63d07 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
8dec8993-38b7-4b38-a6bd-4b508878730d Environmental → Air → Unknown EF 3.1 kg 4
d7d79f9b-f12c-49e6-ae3f-ee98c758b950 Environmental → Ground → Agricultural EF 3.1 kg 2
920e14ef-dfbd-4a0c-b5d9-8b9bf79a325a Environmental → Ground → Non-agricultural EF 3.1 kg 2
9911b8f9-a774-41c2-8048-922a9d9c4982 Environmental → Ground → Unknown EF 3.1 kg 2
64266667-3e3f-4042-a96c-1fb09b494e7a Environmental → Water → Long-term EF 3.1 kg 0
ae43f77c-7cc5-4496-b1f4-c3a749c90415 Environmental → Water → Ocean EF 3.1 kg 2
c0f4e7bd-ced8-4f89-8b55-5c4c41c2a307 Environmental → Water → Surface water EF 3.1 kg 2
56616684-bade-4438-870c-3e11fababaf7 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
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      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=383-63-1"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=383-63-1"
        }
      ],
      "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": [
        "206-851-6"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=206-851-6"
      ],
      "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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