CAS 898787-70-7

4-[3-(4-Chlorophenyl)-1-oxopropyl]benzonitrile

Description:

4-[3-(4-Chlorophenyl)-1-oxopropyl]benzonitrile, with the CAS number 898787-70-7, is an organic compound characterized by its complex structure, which includes a benzonitrile moiety and a propyl chain substituted with a chlorophenyl group. This compound typically exhibits properties associated with aromatic compounds, such as stability and potential for various chemical reactions, including electrophilic substitutions. The presence of the nitrile functional group (-C≡N) suggests that it may have polar characteristics, influencing its solubility in organic solvents. Additionally, the chlorophenyl substituent can impart unique electronic properties, potentially affecting the compound's reactivity and interaction with biological systems. This compound may be of interest in pharmaceutical research or material science due to its structural features, which could lead to specific biological activities or applications in drug development. As with many organic compounds, safety and handling precautions should be observed, given the potential toxicity associated with chlorinated aromatic compounds.

Formula: C₁₆H₁₂ClNO

InChI: InChI=1S/C16H12ClNO/c17-15-8-3-12(4-9-15)5-10-16(19)14-6-1-13(11-18)2-7-14/h1-4,6-9H,5,10H2

InChI key: InChIKey=ZBMOXMDLHXZSRK-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 4-[3-(4-chlorophenyl)-1-oxopropyl]-
• 4-[3-(4-Chlorophenyl)-1-oxopropyl]benzonitrile

3-(4-chlorophenyl)-4′-cyanopropiophenone

CAS: 898787-70-7

Formula: C₁₆H₁₂ClNO

Purity: 97.0%

Molecular weight: 269.73

Ref: 10-F206209