CAS 1261861-33-9

4-Chloro-2-cyanobenzeneacetic acid

Description:

4-Chloro-2-cyanobenzeneacetic acid, identified by its CAS number 1261861-33-9, is an organic compound characterized by the presence of a chloro group and a cyano group attached to a benzene ring, along with an acetic acid functional group. This compound typically appears as a solid at room temperature and is soluble in polar organic solvents. Its molecular structure suggests potential applications in pharmaceuticals and agrochemicals due to the presence of functional groups that can participate in various chemical reactions. The chloro and cyano substituents can influence the compound's reactivity and biological activity, making it of interest in medicinal chemistry. Additionally, the compound may exhibit specific physical properties such as melting and boiling points, which are influenced by its molecular interactions. Safety data should be consulted for handling and storage, as halogenated compounds can pose environmental and health risks. Overall, 4-Chloro-2-cyanobenzeneacetic acid is a versatile compound with potential utility in various chemical applications.

Formula: C₉H₆ClNO₂

InChI: InChI=1S/C9H6ClNO2/c10-8-2-1-6(4-9(12)13)7(3-8)5-11/h1-3H,4H2,(H,12,13)

InChI key: InChIKey=DOZUQWCSYGCXJV-UHFFFAOYSA-N

SMILES: C(C(O)=O)C1=C(C#N)C=C(Cl)C=C1

Synonyms:

• 4-Chloro-2-cyanobenzeneacetic acid
• Benzeneacetic acid, 4-chloro-2-cyano-