3-[[[[N-(3-Isocyanatomethylphenyl)Ureido]Phenylene]Methyl]Phenyleneaminocarbamoyl]Benzoyl Isocyanate
[CAS# 71130-76-2]

Identification

• Name: 3-[[[[N-(3-Isocyanatomethylphenyl)Ureido]Phenylene]Methyl]Phenyleneaminocarbamoyl]Benzoyl Isocyanate
• Synonyms: 3-[3-(Isocyanatomethyl)Phenyl]-1-[2-[[4-[[[[3-(Isocyanatomethyl)Phenyl]Amino]-Oxomethyl]Amino]Phenyl]Methyl]Phenyl]Urea; 3-[3-(Isocyanatomethyl)Phenyl]-1-[2-[4-[[3-(Isocyanatomethyl)Phenyl]Carbamoylamino]Benzyl]Phenyl]Urea; 3-((((N-(3-Isocyanatomethylphenyl)Ureido)Phenylene)Methyl)Phenyleneaminocarbamoyl)Benzoyl Isocyanate
• Molecular Formula: C₃₁H₂₆N₆O₄
• Molecular Weight: 546.58
• CAS Registry Number: 71130-76-2
• EINECS: 275-215-8
• SMILES: O=C=NCC1=CC(=CC=C1)NC(NC4=CC=C(CC2=CC=CC=C2NC(NC3=CC=CC(=C3)CN=C=O)=O)C=C4)=O
• InChI: 1S/C31H26N6O4/c38-20-32-18-23-5-3-8-27(16-23)35-30(40)34-26-13-11-22(12-14-26)15-25-7-1-2-10-29(25)37-31(41)36-28-9-4-6-24(17-28)19-33-21-39/h1-14,16-17H,15,18-19H2,(H2,34,35,40)(H2,36,37,41)
• InChIKey: XLFQDVBEZHKQDT-UHFFFAOYSA-N

Properties

• Density: 1.259g/cm³ (Cal.)
• Boiling point: 600.384°C at 760 mmHg (Cal.)
• Flash point: 316.901°C (Cal.)