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

• ChemBase ID: 302986
• Molecular Formular: BaO3Zr
• Molecular Mass: 276.5492
• Monoisotopic Mass: 275.79469486
• SMILES: [O-2].[O-2].[O-2].[Zr+4].[Ba+2]
• Canonical SMILES: [O-2].[O-2].[O-2].[Zr+4].[Ba+2]
• InChI: InChI=1S/Ba.3O.Zr/q+2;3*-2;+4
• InChIKey: QLFKDQYBEKOEOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: zirconium(4+) ion barium(2+) ion trioxidandiide
• IUPAC Traditional name: zirconium(4+) ion barium(2+) ion trioxidandiide
• Synonyms: Barium zirconate; Barium zirconium oxide; 锆酸钡

Database IDs

• CAS Number: 12009-21-1
• EC Number: 234-546-8
• MDL Number: MFCD00014189

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

• Apperance: 1-2 Micron Powder
• Melting Point: 2500°C
• Density: 5.52

Safety Information

• European Hazard Symbols: X
• Risk Statements: 20/22
• Safety Statements: 28
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H332
• GHS Precautionary statements: P261-P264-P304+P340-P301+P312-P312-P501A

Product Information

• Purity: 99% (metals basis)