CAS 1261438-80-5

2-Chloro-6-(trifluoromethyl)benzenepropanoic acid

Description:

2-Chloro-6-(trifluoromethyl)benzenepropanoic acid is an aromatic compound characterized by the presence of a chloro substituent and a trifluoromethyl group on a benzene ring, along with a propanoic acid functional group. This compound features a chlorine atom at the second position and a trifluoromethyl group at the sixth position of the benzene ring, which significantly influences its chemical reactivity and physical properties. The trifluoromethyl group is known for imparting lipophilicity and enhancing the compound's biological activity, while the carboxylic acid group contributes to its acidity and potential for hydrogen bonding. The presence of these functional groups suggests that the compound may exhibit unique interactions in biological systems, making it of interest in pharmaceutical and agrochemical research. Additionally, the chlorine and fluorine atoms can affect the compound's stability, solubility, and overall reactivity, making it a valuable subject for studies in synthetic chemistry and material science.

Formula: C₁₀H₈ClF₃O₂

InChI: InChI=1S/C10H8ClF3O2/c11-8-3-1-2-7(10(12,13)14)6(8)4-5-9(15)16/h1-3H,4-5H2,(H,15,16)

InChI key: InChIKey=JUIFCWMIUKROSB-UHFFFAOYSA-N

SMILES: C(CC(O)=O)C1=C(C(F)(F)F)C=CC=C1Cl

Synonyms:

• 2-Chloro-6-(trifluoromethyl)benzenepropanoic acid
• Benzenepropanoic acid, 2-chloro-6-(trifluoromethyl)-