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CHEBI:60695 - 3-(trifluoromethyl)benzoic acid

ChEBI IDCHEBI:60695
ChEBI Name3-(trifluoromethyl)benzoic acid
Stars
DefinitionA benzoic acid carrying a trifluoromethyl substituent at the 3-position.
Last Modified29 August 2024
Submitterzjosephs
DownloadsMolfile
FormulaC8H5F3O2
Net Charge0
Average Mass190.120
Monoisotopic Mass190.02416
SMILESO=C(O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChIKeyFQXQBFUUVCDIRK-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-(trifluoromethyl)benzoic acid (CHEBI:60695) is a (trifluoromethyl)benzenes (CHEBI:83565)
3-(trifluoromethyl)benzoic acid (CHEBI:60695) is a benzoic acids (CHEBI:22723)
Incoming Relation(s)
3-(trifluoromethyl)benzoyl group (CHEBI:60662) is substituent group from 3-(trifluoromethyl)benzoic acid (CHEBI:60695)
IUPAC Name 
3-(trifluoromethyl)benzoic acid
Synonyms  Source
m-(trifluoroformyl)benzoic acidChEBI
m-(trifluoromethyl)benzoic acidChEBI
3-TFMBAChEBI
α,α,α-trifluoro-m-toluic acidNIST Chemistry WebBook
alpha,alpha,alpha-Trifluoro-m-toluic acidChemIDplus
3-carboxybenzotrifluorideChEBI
Registry NumbersSources
Reaxys:2049239Reaxys
CAS:454-92-2ChemIDplus
CAS:454-92-2NIST Chemistry WebBook
Citations