CAS 1261776-59-3

3-Chloro-2-(difluoromethyl)benzonitrile

Description:

3-Chloro-2-(difluoromethyl)benzonitrile is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a chlorine atom and a difluoromethyl group, as well as a nitrile functional group. The presence of the chlorine atom and the difluoromethyl group contributes to its unique chemical reactivity and physical properties. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its nitrile group indicates potential for participation in nucleophilic reactions, while the halogen substituents can influence its electrophilic reactivity. The compound may be of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity and utility in synthetic pathways. Safety data should be consulted for handling and storage, as halogenated compounds can pose environmental and health risks. Overall, 3-Chloro-2-(difluoromethyl)benzonitrile represents a versatile building block in organic synthesis.

Formula: C₈H₄ClF₂N

InChI: InChI=1S/C8H4ClF2N/c9-6-3-1-2-5(4-12)7(6)8(10)11/h1-3,8H

InChI key: InChIKey=RQFLJBYULSVEIV-UHFFFAOYSA-N

SMILES: C(F)(F)C1=C(C#N)C=CC=C1Cl

Synonyms:

• 3-Chloro-2-(difluoromethyl)benzonitrile
• Benzonitrile, 3-chloro-2-(difluoromethyl)-