1,3-Bis(5-Isocyanato-2-Methyl-Phenyl)-1,3-Diazetidine-2,4-Dione
[CAS# 5393-85-1]

Identification

• Name: 1,3-Bis(5-Isocyanato-2-Methyl-Phenyl)-1,3-Diazetidine-2,4-Dione
• Synonyms: 1,3-Bis(5-Isocyanato-2-Methyl-Phenyl)-1,3-Diazetidine-2,4-Dione; 1,3-Bis(5-Isocyanato-2-Methyl-Phenyl)-1,3-Diazetidine-2,4-Quinone; Nsc4812
• Molecular Formula: C₁₈H₁₂N₄O₄
• Molecular Weight: 348.32
• CAS Registry Number: 5393-85-1
• SMILES: O=C=NC1=CC(=C(C)C=C1)N2C(=O)N(C2=O)C3=C(C=CC(=C3)N=C=O)C
• InChI: 1S/C18H12N4O4/c1-11-3-5-13(19-9-23)7-15(11)21-17(25)22(18(21)26)16-8-14(20-10-24)6-4-12(16)2/h3-8H,1-2H3
• InChIKey: WCUIIQMWKGRYPH-UHFFFAOYSA-N

Properties

• Density: 1.365g/cm³ (Cal.)
• Boiling point: 497.149°C at 760 mmHg (Cal.)
• Flash point: 254.467°C (Cal.)