4-Fluoro-2-(trifluoromethyl)benzoic acid

4-Fluoro-2-(trifluoromethyl)benzoic acid Structure
4-Fluoro-2-(trifluoromethyl)benzoic acid structure
Common Name 4-Fluoro-2-(trifluoromethyl)benzoic acid
CAS Number 141179-72-8 Molecular Weight 208.110
Density 1.5±0.1 g/cm3 Boiling Point 239.0±40.0 °C at 760 mmHg
Molecular Formula C8H4F4O2 Melting Point 121-124 °C(lit.)
MSDS Chinese USA Flash Point 98.3±27.3 °C
Symbol GHS07
GHS07
Signal Word Warning

Quantitative structure-metabolism relationships for substituted benzoic acids in the rat. Computational chemistry, NMR spectroscopy and pattern recognition studies.

Biochem. Pharmacol. 44(10) , 1935-46, (1992)

An extensive set of computed molecular properties, both steric and electronic, have been calculated using molecular orbital and empirical methods for benzoic acid (1) and a congeneric series of substituted benzoic acids, i.e. 2-, 3- and 4-fluorobenzoic acids ...

Benzazepinone Nav1.7 blockers: potential treatments for neuropathic pain.

Bioorg. Med. Chem. Lett. 17(22) , 6172-7, (2007)

A series of benzazepinones were synthesized and evaluated as hNa(v)1.7 sodium channel blockers. Several compounds from this series displayed good oral bioavailability and exposure and were efficacious in a rat model of neuropathic pain.