CAS 1221792-51-3

3-[(2-Chloroacetyl)amino]benzeneacetic acid

Description:

3-[(2-Chloroacetyl)amino]benzeneacetic acid, identified by its CAS number 1221792-51-3, is an organic compound characterized by the presence of both an amino group and a carboxylic acid functional group, which contribute to its acidic properties. The molecule features a benzene ring substituted with a 2-chloroacetylamino group, enhancing its reactivity and potential biological activity. This compound is likely to exhibit polar characteristics due to the presence of the carboxylic acid and amino functionalities, which can engage in hydrogen bonding. Its structural features suggest potential applications in pharmaceuticals or as an intermediate in organic synthesis. The chloroacetyl moiety may impart specific reactivity, making it useful in various chemical reactions, including acylation and nucleophilic substitution. As with many compounds containing halogens, it is essential to handle this substance with care due to potential toxicity and environmental concerns. Further studies would be necessary to fully elucidate its properties, reactivity, and potential applications in various fields.

Formula: C₁₀H₁₀ClNO₃

InChI: InChI=1S/C10H10ClNO3/c11-6-9(13)12-8-3-1-2-7(4-8)5-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)

InChI key: InChIKey=JEGAALXSTQWCQY-UHFFFAOYSA-N

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

Synonyms:

• Benzeneacetic acid, 3-[(2-chloroacetyl)amino]-
• 3-[(2-Chloroacetyl)amino]benzeneacetic acid