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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.
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This entity has been manually annotated by the ChEBI Team.
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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 (Br
o
nsted 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