barium(2+) ion oxozirconiumbis(olate)

• ChemBase ID: 109665
• Molecular Formular: BaO3Zr
• Molecular Mass: 276.5492
• Monoisotopic Mass: 275.79469486
• SMILES: [Ba+2].[O-][Zr](=O)[O-]
• Canonical SMILES: [O-][Zr](=O)[O-].[Ba+2]
• InChI: InChI=1S/Ba.3O.Zr/q+2;;2*-1
• InChIKey: DQBAOWPVHRWLJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion oxozirconiumbis(olate)
• IUPAC Traditional name: barium(2+) oxozirconiumbis(olate); barium(2+) ion oxozirconiumbis(olate)
• Synonyms: BARIUM ZIRCONATE; Barium zirconate; 锆酸钡

Database IDs

• CAS Number: 12009-21-1
• EC Number: 234-546-8
• MDL Number: MFCD00014189
• PubChem SID: 162089311; 24882461; 24863952
• PubChem CID: 16212444

CALCULATED PROPERTIES

• Acid pKa: 2.69897
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.578295
• LogD (pH = 7.4): -3.7371097
• Log P: -1.4238
• Molar Refractivity: 4.3287 cm^3
• Polarizability: 6.8657103 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: nanopowder; powder
• Density: 5.52 g/mL at 25 °C(lit.)

Safety Information

• RTECS: CR0875000
• European Hazard Symbols: Flammable (F); Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 20/22; R:15-17
• Safety Statements: 28; S:7/8
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98.5% trace metals basis
• Particle Size: <10 μm; <50 nm
• Linear Formula: BaZrO3

DETAILS

MP Biomedicals - 05212095

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 631884

Packaging
25 g in poly bottle
Protocols & Applications
Perovskite-phase Metal Oxide Nanostructures: Synthesis, Properties, and Applications

Sigma Aldrich - 383309

Packaging
250 g in poly bottle