1,1,1-Trichloro-2-Diethoxyphosphoryloxy-3-Nitro-Propane
[CAS# 6329-57-3]

Identification

• Name: 1,1,1-Trichloro-2-Diethoxyphosphoryloxy-3-Nitro-Propane
• Synonyms: Diethyl [2,2,2-Trichloro-1-(Nitromethyl)Ethyl] Phosphate; Phosphoric Acid Diethyl [2,2,2-Trichloro-1-(Nitromethyl)Ethyl] Ester; Diethyl (1,1,1-Trichloro-3-Nitro-Propan-2-Yl) Phosphate
• Molecular Formula: C₇H₁₃Cl₃NO₆P
• Molecular Weight: 344.52
• CAS Registry Number: 6329-57-3
• SMILES: C(O[P](OC(C[N+]([O-])=O)C(Cl)(Cl)Cl)(OCC)=O)C
• InChI: 1S/C7H13Cl3NO6P/c1-3-15-18(14,16-4-2)17-6(5-11(12)13)7(8,9)10/h6H,3-5H2,1-2H3
• InChIKey: FIBBPHWLIQYMPP-UHFFFAOYSA-N

Properties

• Density: 1.468g/cm³ (Cal.)
• Boiling point: 344.405°C at 760 mmHg (Cal.)
• Flash point: 162.091°C (Cal.)