titanium(4+) ion barium(2+) ion trioxidandiide

• ChemBase ID: 303466
• Molecular Formular: BaO3Ti
• Molecular Mass: 233.1922
• Monoisotopic Mass: 233.83793716
• SMILES: [O-2].[O-2].[O-2].[Ti+4].[Ba+2]
• Canonical SMILES: [O-2].[O-2].[O-2].[Ti+4].[Ba+2]
• InChI: InChI=1S/Ba.3O.Ti/q+2;3*-2;+4
• InChIKey: VKJLWXGJGDEGSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: titanium(4+) ion barium(2+) ion trioxidandiide
• IUPAC Traditional name: titanium(4+) ion barium(2+) ion trioxidandiide
• Synonyms: Barium titanium oxide, polymeric precursor, (Oxide ≈ 35 wt%); 钛酸钡, 聚合物前体, (氧≈ 35 wt%)

Database IDs

• CAS Number: 12047-27-7
• MDL Number: MFCD00003447

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 13.1149 cm^3
• Polarizability: 1.8190874 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in alcohols
• Apperance: Viscous Liquid

Safety Information

• European Hazard Symbols: X
• UN Number: UN1993
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-20/22
• Safety Statements: 28
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H302-H332
• GHS Precautionary statements: P210-P241-P261-P303+P361+P353-P403+P235-P501A