CAS 1261821-63-9

2-Chloro-5-hydroxybenzeneacetonitrile

Description:

2-Chloro-5-hydroxybenzeneacetonitrile, identified by its CAS number 1261821-63-9, is an organic compound characterized by the presence of a chloro group, a hydroxyl group, and a nitrile functional group attached to a benzene ring. This compound typically exhibits a white to light yellow crystalline appearance. The chloro substituent contributes to its reactivity, while the hydroxyl group can participate in hydrogen bonding, influencing its solubility in polar solvents. The nitrile group imparts notable polarity and can participate in various chemical reactions, including nucleophilic additions. This compound may be utilized in organic synthesis and pharmaceutical applications, given its functional groups that can serve as intermediates in the preparation of more complex molecules. Its properties, such as melting point, boiling point, and solubility, can vary based on environmental conditions and the presence of other substances. Safety data should be consulted for handling, as compounds with halogen and nitrile functionalities can pose health risks.

Formula: C₈H₆ClNO

InChI: InChI=1S/C8H6ClNO/c9-8-2-1-7(11)5-6(8)3-4-10/h1-2,5,11H,3H2

InChI key: InChIKey=PQMMJCUKNFFVEP-UHFFFAOYSA-N

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

Synonyms:

• 2-Chloro-5-hydroxybenzeneacetonitrile
• Benzeneacetonitrile, 2-chloro-5-hydroxy-