4-Isocyanatobenzyl cyanide

Base Information

• Chemical Name: 4-Isocyanatobenzyl cyanide
• CAS No.: 59513-89-2
• Molecular Formula: C9H6N2O
• Molecular Weight: 158.159
• Hs Code.: 2929109000
• European Community (EC) Number: 626-204-5
• DSSTox Substance ID: DTXSID30404754
• Mol file: 59513-89-2.mol

Synonyms:4-Isocyanatobenzyl cyanide;59513-89-2;2-(4-isocyanatophenyl)acetonitrile;MFCD03701598;p-cyanomethylphenyl isocyanate;SCHEMBL1190706;DTXSID30404754;4-Isocyanatobenzyl cyanide, 97%;DFMDTDBDIAZYNT-UHFFFAOYSA-N;AKOS010078727;4-ISOCYANATOBENZYL CYANIDE 97;AS-58673;D93182;EN300-272505

Chemical Property of 4-Isocyanatobenzyl cyanide

Chemical Property:

• Vapor Pressure: 0.00252mmHg at 25°C
• Melting Point: 38-42 °C(lit.)
• Refractive Index: 1.553
• Boiling Point: 287.2°C at 760 mmHg
• Flash Point: 220 °F
• PSA: 53.22000
• Density: 1.07g/cm³
• LogP: 1.71998
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 158.048012819
• Heavy Atom Count: 12
• Complexity: 226

Purity/Quality:

99.3% ^*data from raw suppliers

4-ISOCYANATOBENZYL CYANIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-42
• Safety Statements: 23-26-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CC#N)N=C=O