CAS 960249-92-7

2-Chloro-6-(difluoromethoxy)benzoic acid

Description:

2-Chloro-6-(difluoromethoxy)benzoic acid is an aromatic carboxylic acid characterized by the presence of a chloro substituent and a difluoromethoxy group on the benzene ring. The molecular structure features a benzoic acid moiety, which contributes to its acidic properties, allowing it to donate a proton in solution. The chloro group introduces electron-withdrawing characteristics, influencing the compound's reactivity and solubility. The difluoromethoxy group enhances the compound's lipophilicity and may affect its biological activity, making it of interest in pharmaceutical applications. This compound is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions. Its unique functional groups can participate in various chemical reactions, including nucleophilic substitutions and coupling reactions, making it a valuable intermediate in organic synthesis. Additionally, the presence of fluorine atoms often imparts unique properties, such as increased metabolic stability and altered pharmacokinetics, which are significant in drug design and development.

Formula: C₈H₅ClF₂O₃

InChI: InChI=1S/C8H5ClF2O3/c9-4-2-1-3-5(14-8(10)11)6(4)7(12)13/h1-3,8H,(H,12,13)

InChI key: InChIKey=ZHCLWDOBHWDUPT-UHFFFAOYSA-N

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

Synonyms:

• Benzoic acid, 2-chloro-6-(difluoromethoxy)-
• 2-Chloro-6-(difluoromethoxy)benzoic acid
• 2-Chloro-6-difluoromethoxybenzoic acid