CAS 916814-08-9

3-(4-Bromo-3-fluorophenyl)cyclobutanone

Description:

3-(4-Bromo-3-fluorophenyl)cyclobutanone is an organic compound characterized by its cyclobutanone structure, which features a four-membered carbon ring with a ketone functional group. The presence of the 4-bromo and 3-fluoro substituents on the phenyl ring significantly influences its chemical properties, including its reactivity and polarity. The bromine and fluorine atoms introduce electronegative elements, which can enhance the compound's ability to participate in electrophilic aromatic substitution reactions. Additionally, the bulky cyclobutanone moiety may affect steric hindrance and overall molecular conformation. This compound is of interest in medicinal chemistry and materials science due to its potential applications in drug development and as a building block for more complex organic molecules. Its CAS number, 916814-08-9, allows for easy identification in chemical databases and literature. As with many halogenated compounds, it is essential to consider safety and environmental implications during handling and disposal.

Formula: C₁₀H₈BrFO

InChI: InChI=1S/C10H8BrFO/c11-9-2-1-6(5-10(9)12)7-3-8(13)4-7/h1-2,5,7H,3-4H2

InChI key: InChIKey=LCNQMBKRUBDVCE-UHFFFAOYSA-N

SMILES: O=C1CC(C1)C2=CC(F)=C(Br)C=C2

Synonyms:

• 3-(4-Bromo-3-fluorophenyl)cyclobutanone
• Cyclobutanone, 3-(4-bromo-3-fluorophenyl)-