CAS 76597-78-9

3-(2-Chloroacetyl)benzoic acid

Description:

3-(2-Chloroacetyl)benzoic acid is an organic compound characterized by its aromatic structure, featuring a benzoic acid moiety substituted with a chloroacetyl group at the meta position. This compound typically appears as a white to off-white solid and is soluble in organic solvents, with limited solubility in water due to its hydrophobic aromatic ring. The presence of the chloroacetyl group introduces both electrophilic and nucleophilic reactivity, making it a valuable intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The compound exhibits typical acid-base behavior, with the carboxylic acid group capable of donating protons in aqueous solutions. Its chemical properties include potential reactivity with amines and alcohols, leading to the formation of various derivatives. Safety data indicates that it should be handled with care, as it may pose health risks upon exposure. Overall, 3-(2-Chloroacetyl)benzoic acid serves as an important building block in synthetic organic chemistry.

Formula: C₉H₇ClO₃

InChI: InChI=1S/C9H7ClO3/c10-5-8(11)6-2-1-3-7(4-6)9(12)13/h1-4H,5H2,(H,12,13)

InChI key: InChIKey=KSZUHGARMNGBKZ-UHFFFAOYSA-N

SMILES: C(CCl)(=O)C1=CC(C(O)=O)=CC=C1

Synonyms:

• Benzoic acid, 3-(2-chloroacetyl)-
• 3-(2-Chloroacetyl)benzoic acid
• Benzoic acid, 3-(chloroacetyl)-