hexasodium tris(dioxotungstenbis(olate)) nonakis(trioxotungsten)

• ChemBase ID: 135410
• Molecular Formular: Na6O39W12
• Molecular Mass: 2967.99522
• Monoisotopic Mass: 2969.15145787
• SMILES: [O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=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.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• Canonical SMILES: [O-][W](=O)(=O)[O-].[O-][W](=O)(=O)[O-].[O-][W](=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.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
• InChI: InChI=1S/6Na.39O.12W/q6*+1;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;6*-1
• InChIKey: AZCSOJKJFMWYCX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexasodium tris(dioxotungstenbis(olate)) nonakis(trioxotungsten)
• IUPAC Traditional name: hexasodium nonakis(tungsten trioxide) tritungstate
• Synonyms: Sodium polytungstate solution; Sodium metatungstate; Sodium polytungstate solution; 聚钨酸钠 溶液; 偏钨酸钠; 聚钨酸钠 溶液

Database IDs

• CAS Number: 12141-67-2
• MDL Number: MFCD00061466
• PubChem SID: 24887577; 162229684; 24886322
• PubChem CID: 3084108

CALCULATED PROPERTIES

• Acid pKa: -2.30103
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -5.970884
• LogD (pH = 7.4): -6.2965326
• Log P: -1.7752
• Molar Refractivity: 5.7716 cm^3
• Polarizability: 10.616612 Å^3
• Polar Surface Area: 80.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Density: 2.82 g/mL at 25 °C
• Refractive Index: n20/D 1.5555

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-41-52/53
• Safety Statements: 26-39-61
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H318-H412
• GHS Precautionary statements: P273-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Concentration: ~80% in H2O; ~85% in H2O; in H2O
• Grade: for separation of minerals
• Compostion: W, 55%
• Linear Formula: 3Na2WO4·9WO3
• Empirical Formula (Hill Notation): Na6O39W12