[alpha,beta-Thio]Diphosphoric Acid alpha,beta,beta-Trimethyl alpha-(4-Nitrophenyl) Ester
[CAS# 63980-97-2]

Identification

• Name: [alpha,beta-Thio]Diphosphoric Acid alpha,beta,beta-Trimethyl alpha-(4-Nitrophenyl) Ester
• Synonyms: 1-(Dimethoxyphosphorylsulfanyl-Methoxy-Phosphoryl)Oxy-4-Nitro-Benzene; 1-[(Dimethoxyphosphorylthio)-Methoxyphosphoryl]Oxy-4-Nitrobenzene; 1-[(Dimethoxyphosphorylthio)-Methoxy-Phosphoryl]Oxy-4-Nitro-Benzene
• Molecular Formula: C₉H₁₃NO₈P₂S
• Molecular Weight: 357.21
• CAS Registry Number: 63980-97-2
• SMILES: C1=C(O[P](S[P](OC)(OC)=O)(OC)=O)C=CC(=C1)[N+]([O-])=O
• InChI: 1S/C9H13NO8P2S/c1-15-19(13,16-2)21-20(14,17-3)18-9-6-4-8(5-7-9)10(11)12/h4-7H,1-3H3
• InChIKey: YPXVCFLCSXAIFK-UHFFFAOYSA-N

Properties

• Density: 1.491g/cm³ (Cal.)
• Boiling point: 437.654°C at 760 mmHg (Cal.)
• Flash point: 218.485°C (Cal.)