1,6-diisocyanatohexane; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene
[CAS# 86220-50-0]

Identification

• Name: 1,6-diisocyanatohexane; 1,3-diisocyanato-2-methyl-benzene; 2,4-diisocyanato-1-methyl-benzene
• Molecular Formula: C₂₆H₂₄N₆O₆
• Molecular Weight: 516.51
• CAS Registry Number: 86220-50-0
• SMILES: O=C=N\CCCCCC/N=C=O.O=C=N\c1ccc(c(\N=C=O)c1)C.O=C=N/c1cccc(/N=C=O)c1C
• InChI: 1S/2C9H6N2O2.C8H12N2O2/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;1-7-8(10-5-12)3-2-4-9(7)11-6-13;11-7-9-5-3-1-2-4-6-10-8-12/h2*2-4H,1H3;1-6H2
• InChIKey: XNHCDPUKNPSLTE-UHFFFAOYSA-N

Properties

• Boiling point: 251°C at 760 mmHg (Cal.)
• Flash point: 110.5°C (Cal.)