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

Base Information

• Chemical Name: 3-(o-Isocyanatobenzyl)-p-tolyl isocyanate
• CAS No.: 94166-35-5
• Molecular Formula: C16H12N2O2
• Molecular Weight: 264.27868
• European Community (EC) Number: 303-331-1
• DSSTox Substance ID: DTXSID20916215
• Nikkaji Number: J319.001C
• Mol file: 94166-35-5.mol

Synonyms:3-(o-Isocyanatobenzyl)-p-tolyl isocyanate;94166-35-5;EINECS 303-331-1;SCHEMBL9813344;DTXSID20916215;4-isocyanato-2-[(2-isocyanatophenyl)methyl]-1-methylbenzene;4-(Isocyanato)-2-[(2-isocyanatophenyl)methyl]-1-methylbenzene

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

Chemical Property:

• Vapor Pressure: 8.39E-07mmHg at 25°C
• Boiling Point: 406°Cat760mmHg
• Flash Point: 167.7°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%min ^*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)N=C=O)CC2=CC=CC=C2N=C=O