trisodium dodecakis(trioxotungsten) hydrate phosphate

• ChemBase ID: 158778
• Molecular Formular: H2Na3O41PW12
• Molecular Mass: 2964.014351
• Monoisotopic Mass: 2965.16139096
• SMILES: O.[O-]P(=O)([O-])[O-].O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.[Na+].[Na+].[Na+]
• Canonical SMILES: [O-]P(=O)([O-])[O-].O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O=[W](=O)=O.O.[Na+].[Na+].[Na+]
• InChI: InChI=1S/3Na.H3O4P.H2O.36O.12W/c;;;1-5(2,3)4;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/h;;;(H3,1,2,3,4);1H2;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/q3*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;/p-3
• InChIKey: XJAYTBQTWJVCCZ-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: trisodium dodecakis(trioxotungsten) hydrate phosphate
• IUPAC Traditional name: trisodium dodecakis(tungsten trioxide) hydrate phosphate
• Synonyms: Phosphotungstic acid trisodium salt hydrate; Tungstophosphoric acid trisodium salt; Sodium phosphotungstate tribasic hydrate; 磷钨酸 三钠盐 水合物; 钨磷酸 三钠盐; 磷钨酸钠 水合物

Database IDs

• CAS Number: 12026-98-1
• EC Number: 234-716-1
• MDL Number: MFCD00151658
• PubChem SID: 162252914; 24859019
• PubChem CID: 71312685

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: false

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Grade: puriss. p.a.
• Cation Traces: Fe: ≤50 mg/kg; K: ≤200 mg/kg; NH4+: ≤20 mg/kg; Pb: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤100 mg/kg
• Loss on Drying: 6-9% loss on ignition
• Linear Formula: Na3[P(W3O10)4] · aq