calcium oxotitaniumbis(olate)

• ChemBase ID: 109081
• Molecular Formular: CaO3Ti
• Molecular Mass: 135.9432
• Monoisotopic Mass: 135.89528114
• SMILES: [Ca+2].[O-][Ti](=O)[O-]
• Canonical SMILES: [O-][Ti](=O)[O-].[Ca+2]
• InChI: InChI=1S/Ca.3O.Ti/q+2;;2*-1
• InChIKey: AOWKSNWVBZGMTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: calcium oxotitaniumbis(olate)
• IUPAC Traditional name: calcium(2+) oxotitaniumbis(olate); calcium oxotitaniumbis(olate)
• Synonyms: CALCIUM TITANATE; Calcium titanate; Calcium titanium oxide; CALCIUM TITANIUM OXIDE; Calcium titanate; 钛酸钙

Database IDs

• CAS Number: 12049-50-2
• EC Number: 234-988-1
• MDL Number: MFCD00015981
• PubChem SID: 24882581; 24863152; 162095041
• PubChem CID: 16212381
• Chemspider ID: 17340234
• Wikipedia Title: Calcium_titanate

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: 5.2817564 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: insoluble in water
• Apperance: -325 Mesh Powder; nanopowder; powder; white powder
• Melting Point: 1975 °C; 1975°C
• Boiling Point: 3000 °C
• Density: 3.98 g/cm^3; 4.1 g/mL at 25 °C(lit.); 4.10

Safety Information

• RTECS: XR1468666; XR2568666
• European Hazard Symbols: Flammable (F)
• German water hazard class: 2
• Risk Statements: R:17
• Safety Statements: S:29
• TSCA Listed: 是
• LD50: >1200 mg/kg (oral, rat)
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 99%; 99% trace metals basis; 99+% (metals basis)
• Particle Size: <100 nm (BET); -325 mesh
• Surface Area: BET surf. area 5-20 m2/g
• Linear Formula: CaTiO3

DETAILS

MP Biomedicals - 05209767

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 633801

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