3-(p-Isocyanatobenzyl)-o-tolyl isocyanate

Base Information

• Chemical Name: 3-(p-Isocyanatobenzyl)-o-tolyl isocyanate
• CAS No.: 78084-30-7
• Molecular Formula: C16H12N2O2
• Molecular Weight: 264.27868
• European Community (EC) Number: 278-827-3
• DSSTox Substance ID: DTXSID30999317
• Nikkaji Number: J319.715H
• Mol file: 78084-30-7.mol

Synonyms:EINECS 278-827-3;78084-30-7;3-(p-Isocyanatobenzyl)-o-tolyl isocyanate;1-isocyanato-3-[(4-isocyanatophenyl)methyl]-2-methylbenzene;SCHEMBL10649255;DTXSID30999317

Chemical Property of 3-(p-Isocyanatobenzyl)-o-tolyl isocyanate

Chemical Property:

• Vapor Pressure: 1.24E-06mmHg at 25°C
• Boiling Point: 400.8°C at 760 mmHg
• Flash Point: 165.5°C
• PSA: 58.86000
• Density: 1.11g/cm³
• LogP: 3.52040
• XLogP3: 5.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 264.089877630
• Heavy Atom Count: 20
• Complexity: 403

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(C=CC=C1N=C=O)CC2=CC=C(C=C2)N=C=O