CAS 898768-69-9

1-(3-Bromophenyl)-3-(4-methylphenyl)-1-propanone

Description:

1-(3-Bromophenyl)-3-(4-methylphenyl)-1-propanone, also known by its CAS number 898768-69-9, is an organic compound characterized by its ketone functional group. This substance features a propanone backbone with two aromatic substituents: a bromophenyl group at one end and a p-methylphenyl group at the other. The presence of the bromine atom introduces notable electronegativity, which can influence the compound's reactivity and polarity. The methyl group on the para position of the phenyl ring contributes to the compound's hydrophobic characteristics. This compound is typically used in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals or agrochemicals. Its physical properties, such as melting point, boiling point, and solubility, would depend on the specific molecular interactions and the presence of functional groups. Safety data should be consulted for handling and storage, as the bromine substituent may pose certain hazards. Overall, this compound exemplifies the complexity and utility of substituted aromatic ketones in chemical applications.

Formula: C₁₆H₁₅BrO

InChI: InChI=1S/C16H15BrO/c1-12-5-7-13(8-6-12)9-10-16(18)14-3-2-4-15(17)11-14/h2-8,11H,9-10H2,1H3

InChI key: InChIKey=IULVLGKQGGBUOS-UHFFFAOYSA-N

SMILES: C(CCC1=CC=C(C)C=C1)(=O)C2=CC(Br)=CC=C2

Synonyms:

• 1-(3-Bromophenyl)-3-(4-methylphenyl)-1-propanone
• 1-Propanone, 1-(3-bromophenyl)-3-(4-methylphenyl)-
• 3′-Bromo-3-(4-methylphenyl)propiophenone