CAS 842977-29-1

2-chloro-4-(4H-1,2,4-triazol-4-yl)benzoic acid

Description:

2-Chloro-4-(4H-1,2,4-triazol-4-yl)benzoic acid is a chemical compound characterized by its unique structure, which includes a benzoic acid moiety substituted with a chlorine atom and a triazole ring. This compound typically exhibits properties such as being a solid at room temperature, with potential solubility in polar organic solvents. The presence of the triazole ring suggests that it may participate in hydrogen bonding and exhibit biological activity, potentially serving as a pharmacophore in medicinal chemistry. The chlorine substituent can influence the compound's reactivity and lipophilicity, affecting its interactions in biological systems. Additionally, the carboxylic acid functional group contributes to its acidity and can participate in various chemical reactions, including esterification and amidation. Overall, 2-chloro-4-(4H-1,2,4-triazol-4-yl)benzoic acid is of interest in research fields such as pharmaceuticals and agrochemicals due to its potential applications and biological significance.

Formula: C₉H₆ClN₃O₂

InChI: InChI=1/C9H6ClN3O2/c10-8-3-6(13-4-11-12-5-13)1-2-7(8)9(14)15/h1-5H,(H,14,15)

SMILES: c1cc(c(cc1n1cnnc1)Cl)C(=O)O

Synonyms:

• benzoic acid, 2-chloro-4-(4H-1,2,4-triazol-4-yl)-