Fluorophosphonic Acid Dimethyl Ester
[CAS# 5954-50-7]

Identification

• Name: Fluorophosphonic Acid Dimethyl Ester
• Synonyms: (Fluoro-Methoxy-Phosphoryl)Oxymethane; Pf-1; Phosphorofluoridic Acid, Dimethyl Ester
• Molecular Formula: C₂H₆FO₃P
• Molecular Weight: 128.04
• CAS Registry Number: 5954-50-7
• SMILES: CO[P](F)(=O)OC
• InChI: 1S/C2H6FO3P/c1-5-7(3,4)6-2/h1-2H3
• InChIKey: XCTATYNREGBPBO-UHFFFAOYSA-N

Properties

• Density: 1.233g/cm³ (Cal.)
• Boiling point: 99.266°C at 760 mmHg (Cal.)
• Flash point: 13.836°C (Cal.)

References

• (1): Fang Zheng, Chang-Guo Zhan and Rick L. Ornstein. Theoretical studies of reaction pathways and energy barriers for alkaline hydrolysis of phosphotriesterase substrates paraoxon and related toxic phosphofluoridate nerve agents, J. Chem. Soc., Perkin Trans. 2, 2001, 0, 2355.