Pentapotassium Hydrogen [Nitrilotris(Methylene)]Trisphosphonate
[CAS# 94021-26-8]

Identification

• Name: Pentapotassium Hydrogen [Nitrilotris(Methylene)]Trisphosphonate
• Synonyms: 72568_Fluka; Nitrilotri(Methylphosphonic Acid); (Nitrilotris(Methylene))Triphosphonic Acid
• Molecular Formula: C₃H₁₂NO₉P₃
• Molecular Weight: 299.05
• CAS Registry Number: 94021-26-8 (94021-27-9;94021-28-0)
• EINECS: 301-419-4
• SMILES: C([P](O)(O)=O)N(C[P](O)(O)=O)C[P](O)(O)=O
• InChI: 1S/C3H12NO9P3/c5-14(6,7)1-4(2-15(8,9)10)3-16(11,12)13/h1-3H2,(H2,5,6,7)(H2,8,9,10)(H2,11,12,13)
• InChIKey: YDONNITUKPKTIG-UHFFFAOYSA-N

Properties

• Density: 2.094g/cm³ (Cal.)
• Melting point: -14°C (Expl.)
• Boiling point: 746.201°C at 760 mmHg (Cal.)
• Flash point: 405.088°C (Cal.)

Safety Data

• Safety Description: Safety glasses, adequate ventilation.

References

• (1): Andrew R. Porter, Steven Y. Liem and Paul L. A. Popelier. Room temperature ionic liquids containing low water concentrations—a molecular dynamics study, Phys. Chem. Chem. Phys., 2008, 10, 4240.