tungsten(6+) ion barium(2+) ion octakis(propan-2-olate)

• ChemBase ID: 303562
• Molecular Formular: C24H56BaO8W
• Molecular Mass: 793.86364
• Monoisotopic Mass: 794.25369675
• SMILES: CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[Ba+2].[W+6]
• Canonical SMILES: [O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[Ba+2].[W+6]
• InChI: InChI=1S/8C3H7O.Ba.W/c8*1-3(2)4;;/h8*3H,1-2H3;;/q8*-1;+2;+6
• InChIKey: OHAJCEIGQOGETE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tungsten(6+) ion barium(2+) ion octakis(propan-2-olate)
• IUPAC Traditional name: tungsten(6+) ion barium(2+) ion octakis(propan-2-olate)
• Synonyms: Barium tungsten isopropoxide; 异丙氧化钡钨

Database IDs

• CAS Number: 333971-25-8
• MDL Number: MFCD00798550

CALCULATED PROPERTIES

• Acid pKa: 17.262587
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.2548059
• LogD (pH = 7.4): 0.25480592
• Log P: 0.25480592
• Molar Refractivity: 27.979 cm^3
• Polarizability: 6.5838666 Å^3
• Polar Surface Area: 23.06 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Apperance: Liquid

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Flammable (F); X
• UN Number: UN1219
• Hazard Class: 3
• Packing Group: II
• Risk Statements: 11-20/22-67
• Safety Statements: 16-28
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H225-H302-H332-H336
• GHS Precautionary statements: P210-P302+P352

Product Information

• Purity: 10% w/v in isopropanol