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CHEBI:60694 - 2-(trifluoromethyl)benzoic acid

ChEBI IDCHEBI:60694
ChEBI Name2-(trifluoromethyl)benzoic acid
Stars
DefinitionA benzoic acid carrying a trifluoromethyl substituent at the 2-position.
Last Modified3 November 2014
Submitterzjosephs
DownloadsMolfile
FormulaC8H5F3O2
Net Charge0
Average Mass190.120
Monoisotopic Mass190.02416
SMILESO=C(O)c1ccccc1C(F)(F)F
InChIInChI=1S/C8H5F3O2/c9-8(10,11)6-4-2-1-3-5(6)7(12)13/h1-4H,(H,12,13)
InChIKeyFBRJYBGLCHWYOE-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)
2-(trifluoromethyl)benzoic acid (CHEBI:60694) is a (trifluoromethyl)benzenes (CHEBI:83565)
2-(trifluoromethyl)benzoic acid (CHEBI:60694) is a benzoic acids (CHEBI:22723)
Incoming Relation(s)
2-(trifluoromethyl)benzoyl group (CHEBI:60661) is substituent group from 2-(trifluoromethyl)benzoic acid (CHEBI:60694)
IUPAC Name 
2-(trifluoromethyl)benzoic acid
Synonyms  Source
o-(trifluoromethyl)benzoic acidChEBI
o-(trifluoroformyl)benzoic acidChEBI
2-(trifluoroformyl)benzoic acidChEBI
2-Trifluoromethylbenzoic acidChemIDplus
alpha,alpha,alpha-Trifluoro-o-toluic acidChemIDplus
o-trifluoromethylbenzoic acidNIST Chemistry WebBook
Registry NumbersSources
Reaxys:976984Reaxys
CAS:433-97-6ChemIDplus
CAS:433-97-6NIST Chemistry WebBook
Citations