2-(2,4-Diisocyanatobenzyl)-4-isocyanato-1-methylbenzene
[CAS# 94213-39-5]

Identification

• Name: 2-(2,4-Diisocyanatobenzyl)-4-isocyanato-1-methylbenzene
• Synonyms: 4-[(5-isocyanato-2-methylphenyl)methyl]-m-phenylene diisocyanate
• Molecular Formula: C₁₇H₁₁N₃O₃
• Molecular Weight: 305.29
• CAS Registry Number: 94213-39-5
• EINECS: 303-743-1
• SMILES: O=C=N\c2ccc(Cc1cc(ccc1C)\N=C=O)c(\N=C=O)c2
• InChI: 1S/C17H11N3O3/c1-12-2-4-15(18-9-21)7-14(12)6-13-3-5-16(19-10-22)8-17(13)20-11-23/h2-5,7-8H,6H2,1H3
• InChIKey: FCLSLHSWMAUISZ-UHFFFAOYSA-N

Properties

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