3-fluoro-2-(trifluoromethyl)benzoic acid
$300.00
CAS No.: 261951-80-8
Catalog No.: 194005
Purity: 95%
MF: C8H4F4O2
MW: 208.11
Storage: 2-8 degree Celsius
SMILES: FC=1C(=C(C(=O)O)C=CC1)C(F)(F)F
Catalog No.: 194005
Purity: 95%
MF: C8H4F4O2
MW: 208.11
Storage: 2-8 degree Celsius
SMILES: FC=1C(=C(C(=O)O)C=CC1)C(F)(F)F
3-fluoro-2-(trifluoromethyl)benzoic acid; CAS No.: 261951-80-8; 3-fluoro-2-(trifluoromethyl)benzoic acid. PROPERTIES: 3-fluoro-2-(trifluoromethyl)benzoic acid is a halogenated aromatic carboxylic acid with a molecular weight of approximately 214.1 g/mol. It typically exists as white to off-white crystalline solid with a melting point ranging from 95-98 C. The substance is moderately soluble in polar organic solvents such as methanol, DMF, and DMSO, but has limited water solubility due to the hydrophobic trifluoromethyl group. The density is approximately 1.45 g/cm?. Proper storage requires a cool, dry environment in well-sealed containers. Safety considerations include classification as harmful if swallowed, causing skin irritation, and may cause eye irritation. Standard laboratory PPE is recommended. Occupational exposure follows general OSHA guidelines for carboxylic acids. APPLICATIONS: 3-fluoro-2-(trifluoromethyl)benzoic acid is employed in the synthesis of angiotensin-converting enzyme (ACE) inhibitors, where the carboxylic acid group forms the pharmacophore for zinc binding in the enzyme active site. The trifluoromethyl substituent provides optimal electronic effects for receptor interactions. In materials science, the compound serves as a building block for liquid crystal polymers, with the rigid aromatic structure and polar carboxylic acid group contributing to mesomorphic properties. The Journal of Medicinal Chemistry often publishes research on similar fluorinated benzoic acids in drug design. Additionally, 3-fluoro-2-(trifluoromethyl)benzoic acid functions as a precursor in the synthesis of agrochemical intermediates, though this application is outside the specified scope. The compound can undergo esterification and amide formation reactions to produce biologically active molecules. Recent advances in cross-coupling chemistry have expanded the utility of this acid in forming carbon-carbon bonds for the synthesis of complex aromatic architectures with potential applications in organic electronics.
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