CAS 93839-17-9

α-Acetyl-2-chloro-6-fluorobenzeneacetonitrile

Description:

α-Acetyl-2-chloro-6-fluorobenzeneacetonitrile, with the CAS number 93839-17-9, is an organic compound characterized by its aromatic structure and the presence of multiple functional groups. It features a benzene ring substituted with a chloro group and a fluorine atom, contributing to its reactivity and potential applications in various chemical reactions. The presence of the acetonitrile group indicates that it contains a cyano functional group, which is known for its ability to participate in nucleophilic reactions. The acetyl group adds to its reactivity, making it a useful intermediate in organic synthesis. This compound may exhibit polar characteristics due to the electronegative chlorine and fluorine substituents, influencing its solubility and interaction with other molecules. Its unique combination of functional groups suggests potential applications in pharmaceuticals, agrochemicals, or as a building block in the synthesis of more complex organic compounds. Safety data and handling precautions should be considered due to the presence of halogenated substituents, which can pose health and environmental risks.

Formula: C₁₀H₇ClFNO

InChI: InChI=1S/C10H7ClFNO/c1-6(14)7(5-13)10-8(11)3-2-4-9(10)12/h2-4,7H,1H3

InChI key: InChIKey=DARQRNNQPWWWJT-UHFFFAOYSA-N

SMILES: C(C(C)=O)(C#N)C1=C(Cl)C=CC=C1F

Synonyms:

• 2-(2-Chloro-6-Fluorophenyl)-3-Oxobutanenitrile
• Benzeneacetonitrile, α-acetyl-2-chloro-6-fluoro-
• α-Acetyl-2-chloro-6-fluorobenzeneacetonitrile
• Acetyl(2-chloro-6-fluorophenyl)acetonitrile