3-(Trifluoromethyl)benzoic acid

Catalog Number	ACM454922
CAS Number	454-92-2
Structure
Synonyms	Benzoic acid, 3-(trifluoromethyl)-
IUPAC Name	3-(trifluoromethyl)benzoic acid
Molecular Weight	190.12
Molecular Formula	C8H5F3O2
Canonical SMILES	C1=CC(=CC(=C1)C(F)(F)F)C(=O)O
InChI	InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13)
InChI Key	FQXQBFUUVCDIRK-UHFFFAOYSA-N
Boiling Point	238.5 ºC
Melting Point	104-106 ºC (lit.)
Purity	98%+
Density	1.317 g/ml