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5-(trifluoromethyl)-1h-pyrazole-3-carboxylic Acid

fo-a1565d8e9056669b

Identity

Type
Neutral molecule
CAS
129768-28-1
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 5-(trifluoromethyl)-1h-pyrazole-3-carboxylic Acid

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string CIVNBJPTGRMGRS-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H3F3N2O2/c6-5(7,8)3-1-2(4(11)12)9-10-3/h1H,(H,9,10)(H,11,12)
IUPAC name chemrof:IUPAC_name 5-(trifluoromethyl)-1h-pyrazole-3-carboxylic Acid
Molecular formula chemrof:molecular_formula C5H3F3N2O2
Molecular mass chemrof:molecular_mass 180.085
Monoisotopic mass chemrof:monoisotopic_mass 180.014662
SMILES string chemrof:smiles_string O=C(O)c1cc(C(F)(F)F)[nH]n1

Known URLs

6

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=129768-28-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.228.352 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID10400653 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.282.024G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4193848 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82203657 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dc158572-d9e9-4f83-a4ac-2a8902ef52c6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c06b89aa-d2cc-4c13-bcd1-a23d51ba6b41 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
1c7c157c-8a96-4cc9-865f-e30342989ef8 Environmental → Air → Indoor EF 3.1 kg 2
13db01c6-5828-4f94-a77c-4fa39272b733 Environmental → Air → Long-term EF 3.1 kg 0
64377337-4b5a-4904-81fa-0e853c17a56f Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
97c0a13e-4ce5-4575-bd08-dc88c9ac8ea1 Environmental → Air → Unknown EF 3.1 kg 2
d352ffaa-562b-4844-8f78-99255de278a6 Environmental → Ground → Agricultural EF 3.1 kg 2
2496d4b7-734d-4510-9364-b80b4fe9b3d9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
490b90c3-5487-43d4-a204-1ffc602c2a64 Environmental → Ground → Unknown EF 3.1 kg 2
75b0537a-4cb7-4d2c-91ef-4d92b012ccd7 Environmental → Water → Long-term EF 3.1 kg 0
a0086eab-e16c-400b-959b-901e5d24c437 Environmental → Water → Ocean EF 3.1 kg 2
c2d3a2ec-1727-401a-8a04-a453b7088399 Environmental → Water → Surface water EF 3.1 kg 2
c0b16b22-ad2b-42db-b437-b910ccfa4bd8 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-a1565d8e9056669b",
  "prefLabel": [
    {
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  ],
  "altLabel": [
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      "@value": "1H-Pyrazole-3-carboxylic acid, 5-(trifluoromethyl)-",
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    },
    {
      "@value": "3-(Trifluoromethyl)-1H-pyrazole-5-carboxylic acid",
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    },
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}

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