CAS 1261603-59-1

2-(Difluoromethoxy)-3-fluorobenzonitrile

Description:

2-(Difluoromethoxy)-3-fluorobenzonitrile is an organic compound characterized by its unique functional groups and fluorinated structure. It features a benzene ring substituted with a nitrile group (-C≡N) and a difluoromethoxy group (-O-CHF2) at the ortho position relative to the nitrile. The presence of multiple fluorine atoms contributes to its potential applications in pharmaceuticals and agrochemicals, as fluorinated compounds often exhibit enhanced biological activity and stability. The compound is likely to be a solid at room temperature, with moderate solubility in organic solvents due to its polar functional groups. Its chemical properties may include reactivity towards nucleophiles and electrophiles, making it a versatile intermediate in synthetic chemistry. Additionally, the presence of the nitrile group can influence its electronic properties, potentially making it a candidate for various chemical reactions, including nucleophilic substitutions and coupling reactions. Overall, 2-(Difluoromethoxy)-3-fluorobenzonitrile is a notable compound in the realm of fluorinated organic chemistry.

Formula: C₈H₄F₃NO

InChI: InChI=1S/C8H4F3NO/c9-6-3-1-2-5(4-12)7(6)13-8(10)11/h1-3,8H

InChI key: InChIKey=FLYCYSQMLSZAGO-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 2-(difluoromethoxy)-3-fluoro-
• 2-(Difluoromethoxy)-3-fluorobenzonitrile