CAS 898788-82-4

3-[3-(3-Fluorophenyl)-1-oxopropyl]benzonitrile

Description:

3-[3-(3-Fluorophenyl)-1-oxopropyl]benzonitrile, with the CAS number 898788-82-4, is an organic compound characterized by its complex structure that includes a benzonitrile moiety and a propanoyl group substituted with a fluorophenyl ring. This compound typically exhibits properties common to aromatic nitriles, such as moderate solubility in organic solvents and potential reactivity due to the presence of both the nitrile and carbonyl functional groups. The fluorine atom in the structure can influence the compound's electronic properties, potentially enhancing its lipophilicity and altering its reactivity. As a result, it may be of interest in medicinal chemistry and material science, particularly in the development of pharmaceuticals or agrochemicals. The presence of multiple functional groups suggests that it may participate in various chemical reactions, including nucleophilic additions or substitutions. Overall, this compound's unique structure and functional groups contribute to its potential applications in various chemical and biological contexts.

Formula: C₁₆H₁₂FNO

InChI: InChI=1S/C16H12FNO/c17-15-6-2-3-12(10-15)7-8-16(19)14-5-1-4-13(9-14)11-18/h1-6,9-10H,7-8H2

InChI key: InChIKey=USDFCGJFWAAGMP-UHFFFAOYSA-N

SMILES: C(CCC1=CC(F)=CC=C1)(=O)C2=CC(C#N)=CC=C2

Synonyms:

• 3-[3-(3-Fluorophenyl)-1-oxopropyl]benzonitrile
• Benzonitrile, 3-[3-(3-fluorophenyl)-1-oxopropyl]-

3′-cyano-3-(3-fluorophenyl)propiophenone

CAS: 898788-82-4

Formula: C₁₆H₁₂FNO

Purity: 97.0%

Molecular weight: 253.276

Ref: 10-F206261