CAS 120985-65-1

2-(Difluoromethyl)-4-methylbenzoic acid

Description:

2-(Difluoromethyl)-4-methylbenzoic acid, with the CAS number 120985-65-1, is an aromatic carboxylic acid characterized by the presence of a benzoic acid core substituted with a difluoromethyl group and a methyl group. This compound typically exhibits a white to off-white crystalline solid form. Its molecular structure includes a benzene ring, which contributes to its stability and potential for various chemical reactions. The difluoromethyl group introduces unique electronic and steric properties, influencing its reactivity and interactions with other molecules. As a carboxylic acid, it possesses acidic properties, allowing it to participate in acid-base reactions. The presence of fluorine atoms can enhance lipophilicity and alter the compound's biological activity, making it of interest in pharmaceutical and agrochemical research. Additionally, its solubility characteristics may vary depending on the solvent, and it may exhibit specific melting and boiling points that are typical for similar aromatic compounds. Overall, this substance is significant in the context of synthetic organic chemistry and material science.

Formula: C₉H₈F₂O₂

InChI: InChI=1S/C9H8F2O2/c1-5-2-3-6(9(12)13)7(4-5)8(10)11/h2-4,8H,1H3,(H,12,13)

InChI key: InChIKey=NRCBKOAHJKFRNB-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 2-(difluoromethyl)-4-methyl-
• 2-(Difluoromethyl)-4-methylbenzoic acid