trisodium trioxo-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane-2,4,6-tris(olate)

• ChemBase ID: 102991
• Molecular Formular: Na3O9P3
• Molecular Mass: 305.885193
• Monoisotopic Mass: 305.84482431
• SMILES: [Na+].[Na+].[Na+].[O-]P1(=O)OP(=O)([O-])OP(=O)([O-])O1
• Canonical SMILES: [O-]P1(=O)OP(=O)([O-])OP(=O)(O1)[O-].[Na+].[Na+].[Na+]
• InChI: InChI=1S/3Na.H3O9P3/c;;;1-10(2)7-11(3,4)9-12(5,6)8-10/h;;;(H,1,2)(H,3,4)(H,5,6)/q3*+1;/p-3
• InChIKey: UGTZMIPZNRIWHX-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium trioxo-1,3,5,2λ^5,4λ^5,6λ^5-trioxatriphosphinane-2,4,6-tris(olate); trisodium trioxo-1,3,5,2$l^{5},4$l^{5},6$l^{5}-trioxatriphosphinane-2,4,6-tris(olate)
• IUPAC Traditional name: trisodium trimetaphosphate; tripotassium trioxo-1,3,5,2$l^{5},4$l^{5},6$l^{5}-trioxatriphosphinane-2,4,6-tris(olate)
• Synonyms: Sodium trimetaphosphate; Sodium trimetaphosphate; Sodium cyclotriphosphate; Trisodium trimetaphosphate; Trisodium trimetaphosphate; TRIMETAPHOSPHATE TRISODIUM SALT ANHYDROUS; 三偏磷酸钠

Database IDs

• CAS Number: 7785-84-4
• EC Number: 232-088-3
• MDL Number: MFCD00867826
• PubChem SID: 24900286; 162091316
• PubChem CID: 24579
• Wikipedia Title: Sodium_trimetaphosphate

CALCULATED PROPERTIES

• Acid pKa: 0.39782965
• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -8.340505
• LogD (pH = 7.4): -8.393878
• Log P: -1.2653954
• Molar Refractivity: 29.2536 cm^3
• Polarizability: 14.2109585 Å^3
• Polar Surface Area: 148.08 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 22 g/100 mL in water; insoluble in alcohol
• Apperance: colorless or white crystals
• Melting Point: 53 °C (hexahydrate, decomp. to anyhdrous)
• Density: 2.49 g/cm^3 (anhydrous) ; 1.786 g/cm^3 (hexahydrate)
• Refractive Index: 1.433 (hexahydrate)

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• RTECS: OY4025000
• European Hazard Symbols: Nature polluting (N)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: III
• Australian Hazchem: 2X
• Emergency Response Guidebook(ERG) Number: 171
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥95%
• Linear Formula: Na3P3O9

DETAILS

MP Biomedicals - 02150160

Trisodium Salt
Anhydrous

Sigma Aldrich - T5508

Other Notes
Cyclic phosphates
Packaging
500 g in poly bottle