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CHEBI:60696 - 4-(trifluoromethyl)benzoic acid

ChEBI IDCHEBI:60696
ChEBI Name4-(trifluoromethyl)benzoic acid
Stars
DefinitionA benzoic acid carrying a 4-trifluoromethyl substituent.
Last Modified29 August 2024
Submitterzjosephs
DownloadsMolfile
FormulaC8H5F3O2
Net Charge0
Average Mass190.120
Monoisotopic Mass190.02416
SMILESO=C(O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKeySWKPKONEIZGROQ-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)
4-(trifluoromethyl)benzoic acid (CHEBI:60696) is a (trifluoromethyl)benzenes (CHEBI:83565)
4-(trifluoromethyl)benzoic acid (CHEBI:60696) is a benzoic acids (CHEBI:22723)
Incoming Relation(s)
4-(trifluoromethyl)benzoyl group (CHEBI:60663) is substituent group from 4-(trifluoromethyl)benzoic acid (CHEBI:60696)
IUPAC Name 
4-(trifluoromethyl)benzoic acid
Synonyms  Source
alpha,alpha,alpha-Trifluoro-p-toluic acidChemIDplus
p-trifluoromethylbenzoic acidNIST Chemistry WebBook
p-trifluoroformylbenzoic acidChEBI
p-carboxybenzotrifluorideChEBI
4-trifluoromethylbenzoic acidChEBI
Registry NumbersSources
Reaxys:2049241Reaxys
CAS:455-24-3NIST Chemistry WebBook
CAS:455-24-3ChemIDplus
Citations