CAS 96784-55-3

4-(3-Methyl-4-nitrophenyl)-2-butanone

Description:

4-(3-Methyl-4-nitrophenyl)-2-butanone, with the CAS number 96784-55-3, is an organic compound characterized by its ketone functional group and a substituted aromatic ring. This compound features a butanone backbone, which contributes to its reactivity and potential applications in organic synthesis. The presence of a nitro group and a methyl group on the aromatic ring enhances its electrophilic properties, making it a useful intermediate in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions. The compound is likely to exhibit moderate solubility in organic solvents due to its hydrophobic aromatic structure, while its polar ketone group may impart some degree of solubility in polar solvents. Additionally, the presence of the nitro group may influence its electronic properties, potentially making it a candidate for applications in materials science or pharmaceuticals. Safety data should be consulted for handling and storage, as compounds with nitro groups can sometimes be sensitive to heat and shock.

Formula: C₁₁H₁₃NO₃

InChI: InChI=1S/C11H13NO3/c1-8-7-10(4-3-9(2)13)5-6-11(8)12(14)15/h5-7H,3-4H2,1-2H3

InChI key: InChIKey=PWLIDMVPFKTWAO-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(C)C=C(CCC(C)=O)C=C1

Synonyms:

• 2-Butanone, 4-(3-methyl-4-nitrophenyl)-
• 4-(3-Methyl-4-nitrophenyl)-2-butanone