3-(O-Isocyanatobenzyl)-O-Tolyl Isocyanate
[CAS# 94166-36-6]

Identification

• Name: 3-(O-Isocyanatobenzyl)-O-Tolyl Isocyanate
• Synonyms: 1-Isocyanato-3-[(2-Isocyanatophenyl)Methyl]-2-Methyl-Benzene; 1-Isocyanato-3-(2-Isocyanatobenzyl)-2-Methyl-Benzene; 3-(O-Isocyanatobenzyl)-O-Tolyl Isocyanate
• Molecular Formula: C₁₆H₁₂N₂O₂
• Molecular Weight: 264.28
• CAS Registry Number: 94166-36-6
• EINECS: 303-332-7
• SMILES: O=C=NC1=C(C(=CC=C1)CC2=C(N=C=O)C=CC=C2)C
• InChI: 1S/C16H12N2O2/c1-12-13(6-4-8-15(12)17-10-19)9-14-5-2-3-7-16(14)18-11-20/h2-8H,9H2,1H3
• InChIKey: AYEGYNYLXCZWQH-UHFFFAOYSA-N

Properties

• Density: 1.118g/cm³ (Cal.)
• Boiling point: 403.631°C at 760 mmHg (Cal.)
• Flash point: 166.706°C (Cal.)