CAS 219685-78-6

Benzoic acid, 2,3-dichloro-4-hydroxy-, methyl ester

Description:

Benzoic acid, 2,3-dichloro-4-hydroxy-, methyl ester, with the CAS number 219685-78-6, is an organic compound characterized by its ester functional group derived from benzoic acid. This compound features a benzene ring substituted with two chlorine atoms at the 2 and 3 positions, a hydroxyl group at the 4 position, and a methoxy group (methyl ester) attached to the carboxylic acid. The presence of these substituents influences its chemical properties, including its solubility, reactivity, and potential biological activity. Typically, compounds like this may exhibit antimicrobial or antifungal properties, making them of interest in various applications, including agriculture and pharmaceuticals. The dichloro and hydroxy groups can also affect the compound's acidity and polarity, impacting its behavior in different chemical environments. As with many chlorinated compounds, it is essential to handle this substance with care due to potential environmental and health implications.

Formula: C₈H₆Cl₂O₃

InChI: InChI=1S/C8H6Cl2O3/c1-13-8(12)4-2-3-5(11)7(10)6(4)9/h2-3,11H,1H3

InChI key: InChIKey=JKUMRRWTUNVWJP-UHFFFAOYSA-N

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

Synonyms:

• Methyl 2,3-dichloro-4-hydroxybenzoate
• Benzoic acid, 2,3-dichloro-4-hydroxy-, methyl ester