calcium oxozirconiumbis(olate)

• ChemBase ID: 108148
• Molecular Formular: CaO3Zr
• Molecular Mass: 179.3002
• Monoisotopic Mass: 177.85203884
• SMILES: [Ca+2].[O-][Zr](=O)[O-]
• Canonical SMILES: [O-][Zr](=O)[O-].[Ca+2]
• InChI: InChI=1S/Ca.3O.Zr/q+2;;2*-1
• InChIKey: BJJVDFHQHSBAFC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium oxozirconiumbis(olate)
• IUPAC Traditional name: calcium oxozirconiumbis(olate); calcium(2+) oxozirconiumbis(olate)
• Synonyms: Calcium zirconium oxide; Calcium zirconate; CALCIUM ZIRCONATE; 氧化钙锆; 锆酸钙

Database IDs

• CAS Number: 12013-47-7
• EC Number: 234-586-6
• MDL Number: MFCD00015982
• PubChem SID: 162095497; 24864658; 24882469
• PubChem CID: 16212531

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
• Melting Point: 2250-2550 °C(lit.)
• Density: 4.78 g/mL at 25 °C; 5.11 g/mL at 25 °C

Safety Information

• European Hazard Symbols: Flammable (F)
• German water hazard class: 3
• Risk Statements: R:15-17
• Safety Statements: S:7/8
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99.7% trace metals basis
• Particle Size: <25 nm (XRD); <50 nm (BET); 10 μm
• Surface Area: BET surf. area 55-65 m2/g
• Linear Formula: CaZrO3

DETAILS

MP Biomedicals - 05206243

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 631965

Packaging
25 g in glass bottle