3-[2-(3-Chlorophenyl)acetyl]benzonitrile

Base Information

• Chemical Name: 3-[2-(3-Chlorophenyl)acetyl]benzonitrile
• CAS No.: 465514-69-6
• Molecular Formula: C15H10ClNO
• Molecular Weight: 255.7
• DSSTox Substance ID: DTXSID10383255
• Mol file: 465514-69-6.mol

Synonyms:3-[2-(3-chlorophenyl)acetyl]benzonitrile;465514-69-6;3-(2-(3-Chlorophenyl)acetyl)benzonitrile;DTXSID10383255;CCG-50777;FT-0614819;SR-01000640125-1

Chemical Property of 3-[2-(3-Chlorophenyl)acetyl]benzonitrile

Chemical Property:

• Vapor Pressure: 3.81E-07mmHg at 25°C
• Melting Point: 87.5 °C
• Boiling Point: 416.5°C at 760 mmHg
• Flash Point: 205.7°C
• PSA: 40.86000
• Density: 1.27g/cm³
• LogP: 3.63708
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 255.0450916
• Heavy Atom Count: 18
• Complexity: 346

Purity/Quality:

98%min ^*data from raw suppliers

3-[2-(3-CHLOROPHENYL)ACETYL]BENZONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn:Harmful
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

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