Methylphosphonofluoridic acid 1,2,2-trimethylpropyl ester
[CAS# 96-64-0]

Identification

• Name: Methylphosphonofluoridic acid 1,2,2-trimethylpropyl ester
• Synonyms: 3-(Fluoro-Methyl-Phosphoryl)Oxy-2,2-Dimethyl-Butane; (Fluoro-(1,2,2-Trimethylpropoxy)Phosphoryl)Methane; O-Pinacolyl Methylphosphonofluoridate
• Molecular Formula: C₇H₁₆FO₂P
• Molecular Weight: 182.17
• CAS Registry Number: 96-64-0
• SMILES: C[P](F)(OC(C(C)(C)C)C)=O
• InChI: 1S/C7H16FO2P/c1-6(7(2,3)4)10-11(5,8)9/h6H,1-5H3
• InChIKey: GRXKLBBBQUKJJZ-UHFFFAOYSA-N

Properties

• Density: 1.009g/cm³ (Cal.)
• Boiling point: 201.232°C at 760 mmHg (Cal.)
• Flash point: 75.503°C (Cal.)

References

• (1): Directed evolution of hydrolases for prevention of G-type nerve agent intoxication.. Gupta et al, Nature Chemical Biology, 2011