(2,4,6-Trioxotriazine-1,3,5(2H,4H,6H)-Triyl)Tris(Hexamethylene) Isocyanate
[CAS# 3779-63-3]

Identification

• Name: (2,4,6-Trioxotriazine-1,3,5(2H,4H,6H)-Triyl)Tris(Hexamethylene) Isocyanate
• Synonyms: (2,4,6-Trioxotriazine-1,3,5(2H,4H,6H)-Triyl)Tris(Hexamethylene) Isocyanate; 1,3,5-Triazine-2,4,6(1H,3H,5H)-Trione, 1,3,5-Tris(6-Isocyanatohexyl)-
• Molecular Formula: C₂₄H₃₆N₆O₆
• Molecular Weight: 504.59
• CAS Registry Number: 3779-63-3
• EINECS: 223-242-0
• SMILES: O=C=NCCCCCCN1C(N(C(N(C1=O)CCCCCCN=C=O)=O)CCCCCCN=C=O)=O
• InChI: 1S/C24H36N6O6/c31-19-25-13-7-1-4-10-16-28-22(34)29(17-11-5-2-8-14-26-20-32)24(36)30(23(28)35)18-12-6-3-9-15-27-21-33/h1-18H2
• InChIKey: KCZQSKKNAGZQSZ-UHFFFAOYSA-N

Properties

• Density: 1.201g/cm³ (Cal.)
• Boiling point: 648.161°C at 760 mmHg (Cal.)
• Flash point: 345.796°C (Cal.)