4-(4-Chlorophenyl)-4-isopropoxybutyronitrile

Base Information

• Chemical Name: 4-(4-Chlorophenyl)-4-isopropoxybutyronitrile
• CAS No.: 6940-91-6
• Molecular Formula: C13H16 Cl N O
• Molecular Weight: 237.72524
• European Community (EC) Number: 230-095-6
• NSC Number: 60415
• DSSTox Substance ID: DTXSID501241995
• Nikkaji Number: J265.977H
• Mol file: 6940-91-6.mol

Synonyms:6940-91-6;4-(4-CHLOROPHENYL)-4-ISOPROPOXYBUTYRONITRILE;EINECS 230-095-6;4-Chloro-gamma-(1-methylethoxy)benzenebutanenitrile;4-Chloro-gamma-(1-methylethoxy)benzenebutyronitrile;NSC60415;DTXSID501241995;NSC 60415;NSC-60415;AKOS024322990;4-(4-CHLOROPHENYL)-4-ISOPROPOXYBUTANENITRILE

Chemical Property of 4-(4-Chlorophenyl)-4-isopropoxybutyronitrile

Chemical Property:

• Vapor Pressure: 4.67E-05mmHg at 25°C
• Boiling Point: 349.5°C at 760 mmHg
• Flash Point: 165.2°C
• PSA: 33.02000
• Density: 1.092g/cm³
• LogP: 4.10988
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 237.0920418
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

4-(4-CHLOROPHENYL)-4-ISOPROPOXYBUTYRONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC(CCC#N)C1=CC=C(C=C1)Cl