CAS 91587-41-6

2-chloro-5-{[(chloroacetyl)amino]methyl}benzoic acid

Description:

2-Chloro-5-{[(chloroacetyl)amino]methyl}benzoic acid, with the CAS number 91587-41-6, is a chemical compound that belongs to the class of benzoic acids. It features a benzoic acid core substituted with a chloro group and an amino group that is further modified by a chloroacetyl moiety. This compound typically exhibits characteristics such as being a solid at room temperature, with potential applications in pharmaceuticals or as an intermediate in organic synthesis. The presence of both chloro and carboxylic acid functional groups suggests it may participate in various chemical reactions, including nucleophilic substitutions and acylation reactions. Its structure indicates that it may have specific biological activities, which could be explored in medicinal chemistry. Additionally, the compound's solubility and reactivity can be influenced by the presence of the chloroacetyl group, which may enhance its interaction with biological targets. Safety and handling precautions should be observed due to the presence of chlorine substituents, which can impart toxicity or reactivity.

Formula: C₁₀H₉Cl₂NO₃

InChI: InChI=1/C10H9Cl2NO3/c11-4-9(14)13-5-6-1-2-8(12)7(3-6)10(15)16/h1-3H,4-5H2,(H,13,14)(H,15,16)

SMILES: c1cc(c(cc1CN=C(CCl)O)C(=O)O)Cl

Synonyms:

• Benzoic Acid, 2-Chloro-5-[[(2-Chloroacetyl)Amino]Methyl]-