CHEBI:60696 - 4-trifluoromethylbenzoic acid

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ChEBI Name 4-trifluoromethylbenzoic acid
ChEBI ID CHEBI:60696
Definition A benzoic acid carrying a 4-trifluoromethyl substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H5F3O2
Net Charge 0
Average Mass 190.11930
Monoisotopic Mass 190.02416
InChI InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-5(2-4-6)7(12)13/h1-4H,(H,12,13)
InChIKey SWKPKONEIZGROQ-UHFFFAOYSA-N
SMILES OC(=O)c1ccc(cc1)C(F)(F)F
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 4-trifluoromethylbenzoic acid (CHEBI:60696) is a (trifluoromethyl)benzenes (CHEBI:83565)
4-trifluoromethylbenzoic acid (CHEBI:60696) is a benzoic acids (CHEBI:22723)
Incoming 4-(trifluoromethyl)benzoyl group (CHEBI:60663) is substituent group from 4-trifluoromethylbenzoic acid (CHEBI:60696)
IUPAC Name
4-(trifluoromethyl)benzoic acid
Synonyms Sources
alpha,alpha,alpha-Trifluoro-p-toluic acid ChemIDplus
p-carboxybenzotrifluoride ChEBI
p-trifluoroformylbenzoic acid ChEBI
p-trifluoromethylbenzoic acid NIST Chemistry WebBook
Registry Numbers Types Sources
2049241 Reaxys Registry Number Reaxys
455-24-3 CAS Registry Number NIST Chemistry WebBook
455-24-3 CAS Registry Number ChemIDplus
Last Modified
03 November 2014