O-[(6-Isocyanatohexyl)Thio]Phenyl Isocyanate
[CAS# 76806-14-9]

Identification

• Name: O-[(6-Isocyanatohexyl)Thio]Phenyl Isocyanate
• Synonyms: 1-Isocyanato-2-(6-Isocyanatohexylthio)Benzene; O-((6-Isocyanatohexyl)Thio)Phenyl Isocyanate
• Molecular Formula: C₁₄H₁₆N₂O₂S
• Molecular Weight: 276.35
• CAS Registry Number: 76806-14-9
• EINECS: 278-553-4
• SMILES: O=C=NC1=C(SCCCCCCN=C=O)C=CC=C1
• InChI: 1S/C14H16N2O2S/c17-11-15-9-5-1-2-6-10-19-14-8-4-3-7-13(14)16-12-18/h3-4,7-8H,1-2,5-6,9-10H2
• InChIKey: IZBAMDYBRZXAAW-UHFFFAOYSA-N

Properties

• Density: 1.114g/cm³ (Cal.)
• Boiling point: 388.53°C at 760 mmHg (Cal.)
• Flash point: 188.776°C (Cal.)