CAS 71683-04-0

α,α-Difluoro-β-oxobenzenepropanenitrile

Description:

α,α-Difluoro-β-oxobenzenepropanenitrile, with the CAS number 71683-04-0, is a chemical compound characterized by the presence of both fluorine atoms and a nitrile functional group. This compound features a benzene ring substituted with a β-oxoketone and a propanenitrile moiety, contributing to its unique reactivity and properties. The difluorination introduces significant electronegativity, which can influence the compound's polarity and reactivity in various chemical reactions. Typically, compounds of this nature may exhibit moderate to high stability under standard conditions, but their reactivity can be enhanced under specific catalytic or thermal conditions. The presence of the nitrile group suggests potential applications in organic synthesis, particularly in the formation of carbon-carbon bonds or as intermediates in the synthesis of pharmaceuticals and agrochemicals. Additionally, the fluorine atoms may impart unique properties such as increased lipophilicity or altered biological activity, making this compound of interest in medicinal chemistry and materials science.

Formula: C₉H₅F₂NO

InChI: InChI=1S/C9H5F2NO/c10-9(11,6-12)8(13)7-4-2-1-3-5-7/h1-5H

InChI key: InChIKey=SKGHUYIMVHKRBC-UHFFFAOYSA-N

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

Synonyms:

• 2,2-Difluoro-3-oxo-3-phenylpropanenitrile
• Benzenepropanenitrile, alpha,alpha-difluoro-beta-oxo- (9CI)
• α,α-Difluoro-β-oxobenzenepropanenitrile
• Benzenepropanenitrile, α,α-difluoro-β-oxo-