(2,4,6-Trioxotriazine-1,3,5(2H,4H,6H)-Triyl)Tris(Methyl-m-Phenylene) Isocyanate
[CAS# 26603-40-7]

Identification

• Name: (2,4,6-Trioxotriazine-1,3,5(2H,4H,6H)-Triyl)Tris(Methyl-m-Phenylene) Isocyanate
• Synonyms: 1,3,5-Tris(3-Isocyanato-4-Methyl-Phenyl)-1,3,5-Triazinane-2,4,6-Trione; 1,3,5-Triazine-2,4,6(1H,3H,5H)-Trione, 1,3,5-Tris(3-Isocyanatomethylphenyl)-
• Molecular Formula: C₂₇H₁₈N₆O₆
• Molecular Weight: 522.48
• CAS Registry Number: 26603-40-7
• EINECS: 247-840-6
• SMILES: O=C=NC1=CC(=CC=C1C)N2C(=O)N(C(N(C2=O)C3=CC(=C(C)C=C3)N=C=O)=O)C4=CC(=C(C)C=C4)N=C=O
• InChI: 1S/C27H18N6O6/c1-16-4-7-19(10-22(16)28-13-34)31-25(37)32(20-8-5-17(2)23(11-20)29-14-35)27(39)33(26(31)38)21-9-6-18(3)24(12-21)30-15-36/h4-12H,1-3H3
• InChIKey: NEQZCEZVSYQHDT-UHFFFAOYSA-N

Properties

• Density: 1.375g/cm³ (Cal.)
• Boiling point: 674.798°C at 760 mmHg (Cal.)
• Flash point: 361.905°C (Cal.)