2-(3-Chlorophenyl)-2-cyano-1-(3-pyridinyl)-1-ethanone

Base Information

• Chemical Name: 2-(3-Chlorophenyl)-2-cyano-1-(3-pyridinyl)-1-ethanone
• CAS No.: 114444-10-9
• Molecular Formula: C14H9ClN2O
• Molecular Weight: 256.68700
• DSSTox Substance ID: DTXSID90655866
• Mol file: 114444-10-9.mol

Synonyms:114444-10-9;2-(3-CHLOROPHENYL)-2-CYANO-1-(3-PYRIDINYL)-1-ETHANONE;2-(3-chlorophenyl)-3-oxo-3-pyridin-3-ylpropanenitrile;2-(3-Chlorophenyl)-3-oxo-3-(pyridin-3-yl)propanenitrile;3-Pyridinepropanenitrile, alpha-(3-chlorophenyl)-beta-oxo-;starbld0018831;DTXSID90655866;NKCUVXMEZYNGKA-UHFFFAOYSA-N;FT-0664898

Chemical Property of 2-(3-Chlorophenyl)-2-cyano-1-(3-pyridinyl)-1-ethanone

Chemical Property:

• Vapor Pressure: 7.85E-08mmHg at 25°C
• Melting Point: 177-178°C
• Boiling Point: 436.8oC at 760 mmHg
• PKA: 4.84±0.10(Predicted)
• Flash Point: 218oC
• PSA: 53.75000
• Density: 1.299±0.06 g/cm3(Predicted)
• LogP: 3.22508
• Solubility.: Dichloromethane, Methanol
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 256.0403406
• Heavy Atom Count: 18
• Complexity: 349

Purity/Quality:

98% ^*data from raw suppliers

2-(3-Chlorophenyl)-2-cyano-1-(3-pyridinyl)-1-ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC(=C1)Cl)C(C#N)C(=O)C2=CN=CC=C2
• Uses: 2-(3-Chlorophenyl)-2-cyano-1-(3-pyridinyl)-1-ethanone (cas# 114444-10-9) is a compound useful in organic synthesis.