CAS 898779-81-2

1-Propanone, 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-

Description:

1-Propanone, 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-, also known by its CAS number 898779-81-2, is an organic compound characterized by its ketone functional group. This compound features a propanone backbone with two distinct aromatic substituents: a 3,4-dichlorophenyl group and a 3,4-dimethylphenyl group. The presence of chlorine atoms in the dichlorophenyl group introduces significant electronegativity, which can influence the compound's reactivity and polarity. The dimethyl groups on the other aromatic ring enhance steric hindrance and can affect the compound's solubility and interaction with biological systems. Typically, compounds of this nature may exhibit moderate to high lipophilicity due to their aromatic structures, which can impact their behavior in various chemical environments. Additionally, the presence of multiple functional groups suggests potential applications in pharmaceuticals or agrochemicals, where such modifications can enhance biological activity or selectivity. Overall, this compound's unique structure contributes to its potential utility in various chemical and industrial applications.

Formula: C₁₇H₁₆Cl₂O

InChI: InChI=1S/C17H16Cl2O/c1-11-3-4-13(9-12(11)2)5-8-17(20)14-6-7-15(18)16(19)10-14/h3-4,6-7,9-10H,5,8H2,1-2H3

InChI key: InChIKey=UMXGFLXRMCNFCF-UHFFFAOYSA-N

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

Synonyms:

• 1-(3,4-Dichlorophenyl)-3-(3,4-dimethylphenyl)-1-propanone
• 3′,4′-Dichloro-3-(3,4-dimethylphenyl)propiophenone
• 1-Propanone, 1-(3,4-dichlorophenyl)-3-(3,4-dimethylphenyl)-