CAS 1205-50-1

Benzoic acid, 3-chloro-4-hydroxy-5-methoxy-, methyl ester

Description:

Benzoic acid, 3-chloro-4-hydroxy-5-methoxy-, methyl ester, commonly referred to by its CAS number 1205-50-1, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a benzene ring substituted with a chlorine atom at the 3-position, a hydroxy group at the 4-position, and a methoxy group at the 5-position, contributing to its unique chemical properties. It is typically a white to off-white crystalline solid, soluble in organic solvents but less so in water due to its hydrophobic aromatic structure. The presence of the methoxy and hydroxy groups can impart some degree of polarity, influencing its reactivity and interactions in various chemical environments. This compound is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity and applications in synthesis. As with many chlorinated compounds, it may exhibit specific environmental and health considerations, necessitating careful handling and assessment in practical applications.

Formula: C₉H₉ClO₄

InChI: InChI=1S/C9H9ClO4/c1-13-7-4-5(9(12)14-2)3-6(10)8(7)11/h3-4,11H,1-2H3

InChI key: InChIKey=ONPNTTNXLNYIJM-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=CC(OC)=C(O)C(Cl)=C1

Synonyms:

• 3-Chloro-4-hydroxy-5-methoxybenzoic acid methyl ester
• Methyl 3-chloro-4-hydroxy-5-methoxybenzoate
• Benzoic acid, 3-chloro-4-hydroxy-5-methoxy-, methyl ester
• Vanillic acid, 5-chloro-, methyl ester