CAS 898755-73-2

3-[3-(3,4-Dimethylphenyl)-1-oxopropyl]benzonitrile

Description:

3-[3-(3,4-Dimethylphenyl)-1-oxopropyl]benzonitrile, with the CAS number 898755-73-2, is a chemical compound characterized by its complex structure, which includes a benzonitrile moiety and a propanoyl group substituted with a 3,4-dimethylphenyl group. This compound typically exhibits properties associated with organic nitriles, such as moderate to high polarity due to the presence of the cyano group, which can influence its solubility in various solvents. The presence of the dimethylphenyl group may impart additional hydrophobic characteristics, affecting its interaction with biological systems and its potential applications in pharmaceuticals or materials science. The compound's molecular structure suggests potential reactivity, particularly in nucleophilic addition reactions, and it may serve as a precursor or intermediate in synthetic organic chemistry. Its specific physical properties, such as melting point, boiling point, and spectral characteristics, would need to be determined experimentally or sourced from chemical databases for precise applications.

Formula: C₁₈H₁₇NO

InChI: InChI=1S/C18H17NO/c1-13-6-7-15(10-14(13)2)8-9-18(20)17-5-3-4-16(11-17)12-19/h3-7,10-11H,8-9H2,1-2H3

InChI key: InChIKey=NREHHAMLHRJAHI-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 3-[3-(3,4-dimethylphenyl)-1-oxopropyl]-
• 3-[3-(3,4-Dimethylphenyl)-1-oxopropyl]benzonitrile

3′-cyano-3-(3,4-dimethylphenyl)propiophenone

CAS: 898755-73-2

Formula: C₁₈H₁₇NO

Purity: 97.0%

Molecular weight: 263.34

Ref: 10-F206579