CAS 1057676-37-5

2,6-Difluorobenzenepropanenitrile

Description:

2,6-Difluorobenzenepropanenitrile, identified by its CAS number 1057676-37-5, is an organic compound characterized by the presence of a propanenitrile group attached to a difluorobenzene ring. The structure features two fluorine atoms positioned at the 2 and 6 positions of the benzene ring, which can significantly influence its chemical properties, including reactivity and polarity. This compound is likely to exhibit characteristics typical of nitriles, such as high boiling points and solubility in polar solvents, while the fluorine substituents may enhance its stability and alter its electronic properties. The presence of the nitrile functional group suggests potential applications in organic synthesis and materials science, as well as in pharmaceuticals, where fluorinated compounds are often valued for their biological activity and metabolic stability. Overall, 2,6-Difluorobenzenepropanenitrile represents a unique combination of functional groups that can be utilized in various chemical applications.

Formula: C₉H₇F₂N

InChI: InChI=1S/C9H7F2N/c10-8-4-1-5-9(11)7(8)3-2-6-12/h1,4-5H,2-3H2

InChI key: InChIKey=WICBOHZNLOOCER-UHFFFAOYSA-N

SMILES: C(CC#N)C1=C(F)C=CC=C1F

Synonyms:

• 2,6-Difluorobenzenepropanenitrile
• Benzenepropanenitrile, 2,6-difluoro-