CAS 1334146-06-3

3-Chloro-α,α-difluorobenzeneacetonitrile

Description:

3-Chloro-α,α-difluorobenzeneacetonitrile is an organic compound characterized by its unique structure, which includes a benzene ring substituted with a chlorine atom and two fluorine atoms, along with an acetonitrile functional group. This compound typically exhibits properties associated with halogenated aromatic compounds, such as increased reactivity and potential for electrophilic substitution due to the presence of electronegative halogens. The presence of the cyano group (nitrile) contributes to its polarity and solubility in polar solvents. Its molecular structure suggests that it may have applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Additionally, the presence of fluorine atoms can enhance the compound's stability and lipophilicity, making it of interest in medicinal chemistry. Safety data sheets would indicate appropriate handling measures due to the potential toxicity associated with halogenated compounds. Overall, 3-Chloro-α,α-difluorobenzeneacetonitrile is a compound of interest in various chemical research fields, particularly for its synthetic utility and potential biological activity.

Formula: C₈H₄ClF₂N

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

InChI key: InChIKey=YYJAPTWYACMXTE-UHFFFAOYSA-N

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

Synonyms:

• Benzeneacetonitrile, 3-chloro-α,α-difluoro-
• 3-Chloro-α,α-difluorobenzeneacetonitrile