O-[2,4-Dinitro-6-(2-Octanyl)Phenyl] S-Methyl Carbonothioate
[CAS# 5386-77-6]

Identification

• Name: O-[2,4-Dinitro-6-(2-Octanyl)Phenyl] S-Methyl Carbonothioate
• Molecular Formula: C₁₆H₂₂N₂O₆S
• Molecular Weight: 370.42
• CAS Registry Number: 5386-77-6
• SMILES: [O-][N+](=O)c1cc(cc(C(C)CCCCCC)c1OC(=O)SC)[N+]([O-])=O
• InChI: 1S/C16H22N2O6S/c1-4-5-6-7-8-11(2)13-9-12(17(20)21)10-14(18(22)23)15(13)24-16(19)25-3/h9-11H,4-8H2,1-3H3
• InChIKey: PTKVPQXEKZOPNA-UHFFFAOYSA-N

Properties

• Density: 1.246g/cm³ (Cal.)
• Boiling point: 469.12°C at 760 mmHg (Cal.)
• Flash point: 237.516°C (Cal.)