2-Heptyl-3,4-Bis(9-Isocyanatononyl)-1-Pentyl-Cyclohexane
[CAS# 68239-06-5]

Identification

• Name: 2-Heptyl-3,4-Bis(9-Isocyanatononyl)-1-Pentyl-Cyclohexane
• Synonyms: 3-Heptyl-1,2-Bis(9-Isocyanatononyl)-4-Pentyl-Cyclohexane; 1-Amyl-2-Heptyl-3,4-Bis(9-Isocyanatononyl)Cyclohexane; 2-Heptyl-3,4-Bis(9-Isocyanatononyl)-1-Pentylcyclohexane
• Molecular Formula: C₃₈H₇₀N₂O₂
• Molecular Weight: 586.98
• CAS Registry Number: 68239-06-5
• EINECS: 269-419-6
• SMILES: O=C=NCCCCCCCCCC1C(C(CCC1CCCCCCCCCN=C=O)CCCCC)CCCCCCC
• InChI: 1S/C38H70N2O2/c1-3-5-7-14-21-27-37-35(25-19-6-4-2)29-30-36(26-20-15-10-8-12-17-23-31-39-33-41)38(37)28-22-16-11-9-13-18-24-32-40-34-42/h35-38H,3-32H2,1-2H3
• InChIKey: AMUBKBXGFDIMDJ-UHFFFAOYSA-N

Properties

• Density: 0.951g/cm³ (Cal.)
• Boiling point: 642.636°C at 760 mmHg (Cal.)
• Flash point: 258.26°C (Cal.)