1,3-diisocyanato-5-[(2-isocyanatophenyl)methyl]-2-methyl-benzene
[CAS# 94166-83-3]

Identification

• Name: 1,3-diisocyanato-5-[(2-isocyanatophenyl)methyl]-2-methyl-benzene
• Synonyms: 5-(o-isocyanatobenzyl)-2-methyl-m-phenylene diisocyanate
• Molecular Formula: C₁₇H₁₁N₃O₃
• Molecular Weight: 305.29
• CAS Registry Number: 94166-83-3
• EINECS: 303-381-4
• SMILES: O=C=Nc1cc(cc(N=C=O)c1C)Cc2ccccc2N=C=O
• InChI: 1S/C17H11N3O3/c1-12-16(19-10-22)7-13(8-17(12)20-11-23)6-14-4-2-3-5-15(14)18-9-21/h2-5,7-8H,6H2,1H3
• InChIKey: GMRNPNMSFIZWBC-UHFFFAOYSA-N

Properties

• Density: 1.2g/cm³ (Cal.)
• Boiling point: 455.206°C at 760 mmHg (Cal.)
• Flash point: 187.684°C (Cal.)