1,5-diisocyanato-3-[(2-isocyanatophenyl)methyl]-2-methyl-benzene
[CAS# 94166-84-4]

Identification

• Name: 1,5-diisocyanato-3-[(2-isocyanatophenyl)methyl]-2-methyl-benzene
• Synonyms: 5-(o-isocyanatobenzyl)-6-methyl-m-phenylene diisocyanate
• Molecular Formula: C₁₇H₁₁N₃O₃
• Molecular Weight: 305.29
• CAS Registry Number: 94166-84-4
• EINECS: 303-383-5
• SMILES: O=C=Nc2cc(cc(Cc1ccccc1N=C=O)c2C)N=C=O
• InChI: 1S/C17H11N3O3/c1-12-14(6-13-4-2-3-5-16(13)19-10-22)7-15(18-9-21)8-17(12)20-11-23/h2-5,7-8H,6H2,1H3
• InChIKey: NUPFKDQTOQCZOA-UHFFFAOYSA-N

Properties

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