CAS 80277-46-9

3-Bromo-4-fluoro-α-oxobenzeneacetonitrile

Description:

3-Bromo-4-fluoro-α-oxobenzeneacetonitrile, with the CAS number 80277-46-9, is an organic compound characterized by the presence of both bromine and fluorine substituents on a benzene ring, along with a nitrile functional group. This compound features a ketone group (α-oxo) adjacent to the acetonitrile moiety, which contributes to its reactivity and potential applications in organic synthesis. The presence of halogens, specifically bromine and fluorine, often enhances the compound's electrophilicity, making it useful in various chemical reactions, including nucleophilic substitutions and coupling reactions. Additionally, the nitrile group can participate in further transformations, such as hydrolysis or reduction, allowing for the synthesis of a range of derivatives. The compound's unique structure may also impart specific physical properties, such as solubility in organic solvents and potential biological activity, making it of interest in medicinal chemistry and material science. Overall, 3-Bromo-4-fluoro-α-oxobenzeneacetonitrile serves as a versatile building block in synthetic organic chemistry.

Formula: C₈H₃BrFNO

InChI: InChI=1S/C8H3BrFNO/c9-6-3-5(8(12)4-11)1-2-7(6)10/h1-3H

InChI key: InChIKey=JIMNSAPFJITDFR-UHFFFAOYSA-N

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

Synonyms:

• Benzeneacetonitrile, 3-bromo-4-fluoro-α-oxo-
• 3-Bromo-4-fluorobenzoyl cyanide
• 3-Bromo-4-fluoro-α-oxobenzeneacetonitrile