5-(o-Isocyanatobenzyl)-o-tolyl isocyanate

Base Information

• Chemical Name: 5-(o-Isocyanatobenzyl)-o-tolyl isocyanate
• CAS No.: 78062-19-8
• Molecular Formula: C16H12 N2 O2
• Molecular Weight: 264.27868
• European Community (EC) Number: 278-824-7
• DSSTox Substance ID: DTXSID80999302
• Nikkaji Number: J319.712C
• Mol file: 78062-19-8.mol

Synonyms:78062-19-8;EINECS 278-824-7;5-(o-Isocyanatobenzyl)-o-tolyl isocyanate;2-isocyanato-4-[(2-isocyanatophenyl)methyl]-1-methylbenzene;SCHEMBL9015827;DTXSID80999302

Chemical Property of 5-(o-Isocyanatobenzyl)-o-tolyl isocyanate

Chemical Property:

• Vapor Pressure: 1.18E-06mmHg at 25°C
• Boiling Point: 401.5°C at 760 mmHg
• Flash Point: 165.8°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: 411

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=C(C=C1)CC2=CC=CC=C2N=C=O)N=C=O