CAS 1261825-83-5

4-(Difluoromethyl)-2-fluorobenzonitrile

Description:

4-(Difluoromethyl)-2-fluorobenzonitrile is an organic compound characterized by its unique structure, which includes a benzene ring substituted with a difluoromethyl group and a nitrile functional group. The presence of multiple fluorine atoms contributes to its chemical stability and lipophilicity, making it of interest in various chemical applications, including pharmaceuticals and agrochemicals. The nitrile group (-C≡N) imparts polar characteristics, enhancing its reactivity in nucleophilic addition reactions. This compound is typically a colorless to pale yellow solid, and its physical properties, such as melting point and boiling point, are influenced by the fluorine substituents, which can affect intermolecular interactions. Additionally, the compound's fluorinated nature may provide unique electronic properties, making it a candidate for further studies in medicinal chemistry and material science. Safety data sheets should be consulted for handling and storage guidelines, as fluorinated compounds can exhibit specific hazards. Overall, 4-(Difluoromethyl)-2-fluorobenzonitrile represents a valuable compound in the field of synthetic organic chemistry.

Formula: C₈H₄F₃N

InChI: InChI=1S/C8H4F3N/c9-7-3-5(8(10)11)1-2-6(7)4-12/h1-3,8H

InChI key: InChIKey=HAHQUSRNORILMY-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 4-(difluoromethyl)-2-fluoro-
• 4-(Difluoromethyl)-2-fluorobenzonitrile