trisodium hexahydrate phosphate

• ChemBase ID: 158597
• Molecular Formular: H12Na3O10P
• Molecular Mass: 272.032351
• Monoisotopic Mass: 271.98611606
• SMILES: O.O.O.O.O.O.[O-]P(=O)([O-])[O-].[Na+].[Na+].[Na+]
• Canonical SMILES: [O-]P(=O)([O-])[O-].O.O.O.O.O.O.[Na+].[Na+].[Na+]
• InChI: InChI=1S/3Na.H3O4P.6H2O/c;;;1-5(2,3)4;;;;;;/h;;;(H3,1,2,3,4);6*1H2/q3*+1;;;;;;;/p-3
• InChIKey: BPFZWBABAJEKEO-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium hexahydrate phosphate
• IUPAC Traditional name: trisodium hexahydrate phosphate
• Synonyms: Trisodium phosphate hexahydrate; Sodium phosphate tribasic hexahydrate; 磷酸三钠 六水合物; 正磷酸钠 六水合物

Database IDs

• CAS Number: 15819-50-8
• MDL Number: MFCD00210071
• PubChem SID: 162252733; 24886319
• PubChem CID: 9795465

CALCULATED PROPERTIES

• Acid pKa: 1.7961261
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -3.3916447
• LogD (pH = 7.4): -3.9718332
• Log P: -1.0201038
• Molar Refractivity: 11.2868 cm^3
• Polarizability: 5.564544 Å^3
• Polar Surface Area: 86.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3262
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3262 8/PG 3

Product Information

• Purity: ≥97.0% (T)
• Grade: purum p.a.
• Cation Traces: Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; fluoride (F-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Linear Formula: Na3PO4 · 6H2O