Toluene diisocyanate trimer
[CAS# 9019-85-6]

Identification

• Name: Toluene diisocyanate trimer
• Synonyms: 1,3-Diisocyanato-2-Methyl-Benzene; 1,3-Diisocyanato-2-Methyl-Benzene; Benzene, 1,3-Diisocyanatomethyl-, Trimer
• Molecular Formula: C₂₇H₁₈N₆O₆
• Molecular Weight: 522.48
• CAS Registry Number: 9019-85-6
• SMILES: O=C=NC1=C(C(=CC=C1)N=C=O)C.O=C=NC2=C(C(=CC=C2)N=C=O)C.N(C3=C(C(=CC=C3)N=C=O)C)=C=O
• InChI: 1S/3C9H6N2O2/c3*1-7-8(10-5-12)3-2-4-9(7)11-6-13/h3*2-4H,1H3
• InChIKey: RKYHWYHGMLNCSO-UHFFFAOYSA-N

Properties

• Boiling point: 248.4°C at 760 mmHg (Cal.)
• Flash point: 110.5°C (Cal.)