2,6-Bis[2-Isocyanato-3-[(2-Isocyanatophenyl)Methyl]Benzyl]Phenyl Isocyanate
[CAS# 85423-11-6]

Identification

• Name: 2,6-Bis[2-Isocyanato-3-[(2-Isocyanatophenyl)Methyl]Benzyl]Phenyl Isocyanate
• Synonyms: 2-Isocyanato-1,3-Bis[2-Isocyanato-3-(2-Isocyanatobenzyl)Benzyl]Benzene; 2,6-Bis(2-Isocyanato-3-((2-Isocyanatophenyl)Methyl)Benzyl)Phenyl Isocyanate; Benzene, 2-Isocyanato-1,3-Bis((2-Isocyanato-3-((2-Isocyanatophenyl)Methyl)Phenyl)Methyl)-
• Molecular Formula: C₃₉H₂₅N₅O₅
• Molecular Weight: 643.66
• CAS Registry Number: 85423-11-6
• EINECS: 287-215-5
• SMILES: O=C=NC3=C(CC1=CC=CC(=C1N=C=O)CC2=CC=CC=C2N=C=O)C=CC=C3CC4=C(N=C=O)C(=CC=C4)CC5=C(N=C=O)C=CC=C5
• InChI: 1S/C39H25N5O5/c45-22-40-35-16-3-1-8-27(35)18-29-10-5-12-31(37(29)42-24-47)20-33-14-7-15-34(39(33)44-26-49)21-32-13-6-11-30(38(32)43-25-48)19-28-9-2-4-17-36(28)41-23-46/h1-17H,18-21H2
• InChIKey: AHXPEHBCIOCGOK-UHFFFAOYSA-N

Properties

• Density: 1.223g/cm³ (Cal.)
• Boiling point: 782.691°C at 760 mmHg (Cal.)
• Flash point: 306.371°C (Cal.)