3-(O-Isocyanatobenzyl)-P-Tolyl Isocyanate
[CAS# 94166-35-5]

Identification

• Name: 3-(O-Isocyanatobenzyl)-P-Tolyl Isocyanate
• Synonyms: 4-Isocyanato-2-[(2-Isocyanatophenyl)Methyl]-1-Methyl-Benzene; 4-Isocyanato-2-(2-Isocyanatobenzyl)-1-Methyl-Benzene; 3-(O-Isocyanatobenzyl)-P-Tolyl Isocyanate
• Molecular Formula: C₁₆H₁₂N₂O₂
• Molecular Weight: 264.28
• CAS Registry Number: 94166-35-5
• EINECS: 303-331-1
• SMILES: O=C=NC2=C(CC1=C(C=CC(=C1)N=C=O)C)C=CC=C2
• InChI: 1S/C16H12N2O2/c1-12-6-7-15(17-10-19)9-14(12)8-13-4-2-3-5-16(13)18-11-20/h2-7,9H,8H2,1H3
• InChIKey: UAWLZSHOYIKAEE-UHFFFAOYSA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 406.026°C at 760 mmHg (Cal.)
• Flash point: 167.698°C (Cal.)