2-Ethyl-2-[[[[(3-Isocyanato-4-Methylphenyl)Amino]Carbonyl]Oxy]Methyl]Propylene (3-Isocyanato-4-Methylphenyl)Carbamate
[CAS# 1431-54-5]

Identification

• Name: 2-Ethyl-2-[[[[(3-Isocyanato-4-Methylphenyl)Amino]Carbonyl]Oxy]Methyl]Propylene (3-Isocyanato-4-Methylphenyl)Carbamate
• Synonyms: 2,2-Bis[(3-Isocyanato-4-Methyl-Phenyl)Carbamoyloxymethyl]Butyl N-(3-Isocyanato-4-Methyl-Phenyl)Carbamate; N-(3-Isocyanato-4-Methylphenyl)Carbamic Acid 2,2-Bis[[[(3-Isocyanato-4-Methylphenyl)Amino]-Oxomethoxy]Methyl]Butyl Ester; N-(3-Isocyanato-4-Methyl-Phenyl)Carbamic Acid 2,2-Bis[(3-Isocyanato-4-Methyl-Phenyl)Carbamoyloxymethyl]Butyl Ester
• Molecular Formula: C₃₃H₃₂N₆O₉
• Molecular Weight: 656.65
• CAS Registry Number: 1431-54-5
• EINECS: 215-855-7
• SMILES: O=C=NC1=C(C=CC(=C1)NC(=O)OCC(COC(NC2=CC(=C(C=C2)C)N=C=O)=O)(COC(NC3=CC(=C(C=C3)C)N=C=O)=O)CC)C
• InChI: 1S/C33H32N6O9/c1-5-33(15-46-30(43)37-24-9-6-21(2)27(12-24)34-18-40,16-47-31(44)38-25-10-7-22(3)28(13-25)35-19-41)17-48-32(45)39-26-11-8-23(4)29(14-26)36-20-42/h6-14H,5,15-17H2,1-4H3,(H,37,43)(H,38,44)(H,39,45)
• InChIKey: XHLFUMPVVXAFKO-UHFFFAOYSA-N

Properties

• Density: 1.287g/cm³ (Cal.)
• Boiling point: 702.345°C at 760 mmHg (Cal.)
• Flash point: 378.565°C (Cal.)