CAS 1057676-64-8

3,5-Difluorobenzenepropanenitrile

Description:

3,5-Difluorobenzenepropanenitrile, with the CAS number 1057676-64-8, is an organic compound characterized by its structure, which includes a benzene ring substituted with two fluorine atoms at the 3 and 5 positions, and a propanenitrile group. This compound is typically a colorless to pale yellow liquid or solid, depending on its specific form and purity. The presence of fluorine atoms enhances its chemical stability and can influence its reactivity, making it useful in various synthetic applications. The nitrile functional group (-C≡N) contributes to its polarity and can participate in nucleophilic reactions, making it a valuable intermediate in organic synthesis. Additionally, the compound may exhibit unique physical properties, such as a specific boiling point and solubility characteristics, influenced by the fluorine substituents. Its applications may extend to pharmaceuticals, agrochemicals, or materials science, where fluorinated compounds are often sought for their enhanced performance and stability. Safety data should be consulted for handling and storage, as fluorinated compounds can pose specific health and environmental risks.

Formula: C₉H₇F₂N

InChI: InChI=1S/C9H7F2N/c10-8-4-7(2-1-3-12)5-9(11)6-8/h4-6H,1-2H2

InChI key: InChIKey=HALXUIOQICKWLL-UHFFFAOYSA-N

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

Synonyms:

• Benzenepropanenitrile, 3,5-difluoro-
• 3,5-Difluorobenzenepropanenitrile