barium(2+) ion oxotitaniumbis(olate)

• ChemBase ID: 107555
• Molecular Formular: BaO3Ti
• Molecular Mass: 233.1922
• Monoisotopic Mass: 233.83793716
• SMILES: [Ba+2].[O-][Ti](=O)[O-]
• Canonical SMILES: [O-][Ti](=O)[O-].[Ba+2]
• InChI: InChI=1S/Ba.3O.Ti/q+2;;2*-1
• InChIKey: WNKMTAQXMLAYHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: barium(2+) ion oxotitaniumbis(olate)
• IUPAC Traditional name: barium(2+) ion oxotitaniumbis(olate); barium(2+) oxotitaniumbis(olate)
• Synonyms: Titanium barium oxide; Barium titanate(IV); Barium titanate; Barium titanium oxide, Puratronic®; BARIUM TITANATE; Barium metatitanate; Barium titanium oxide; Barium titanium oxide, high surface area; 钛酸钡; 氧化钡钛, Puratronic®; 钛酸钡, 高表面积

Database IDs

• CAS Number: 12047-27-7
• EC Number: 234-975-0
• MDL Number: MFCD00003447
• Merck Index: 141000
• PubChem SID: 24855536; 24861088; 24852494; 24870427; 24860578; 162094893
• PubChem CID: 6101006

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, alkalies. Slightly soluble in dilute acids. Soluble in concentrated acids
• Apperance: <2 Micron Powder; 0.05-0.07 Micron APS Powder, S.A. 10-30m2/g; 3-12mm Pieces; -325 Mesh Powder; nanopowder (cubic crystalline phase); pieces; powder; Powder; sintered
• Melting Point: 1620°C
• Density: 5.85; 6.08 g/mL at 25 °C(lit.)
• Dielectric Constant: 150

Safety Information

• RTECS: XR1437333
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: 1564; UN1564
• German water hazard class: 1
• Hazard Class: 6.1
• Packing Group: 3; III
• Risk Statements: 20/22
• Safety Statements: 28
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H332
• GHS Precautionary statements: P261-P264-P304+P340-P301+P312-P312-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 1564 6.1/PG 3

Product Information

• Purity: ≥98.0%; ≥99% trace metals basis; 99%; 99% (metals basis); 99.7% (metals basis); 99.9% (metals basis); 99.9% trace metals basis; 99.99% (metals basis); 99.995% trace metals basis; 99+% (metals basis)
• Grade: purum
• Particle Size: <100 nm (BET); <2 μm; <3 μm; 3-12 mm
• Loss on Drying: ≤1% loss on ignition
• Linear Formula: BaTiO3

DETAILS

MP Biomedicals - 05204151

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 338842

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 256552

Packaging
10 g in poly bottle

Sigma Aldrich - 342939

Packaging
50, 500 g in poly bottle
Application
Reagent for:
• Synthesis of high-dielectric polymer composite materials1
• Inverse electron demand Diels-Alder reactions2Catalyst for:
• Selectivity of methane oxidation3
• Vapor phase intramolecular dehydration4Used for:
• Synthesis of flexible transparent conductive coatings5
• X7R multilayer ceramic capacitors6
Suitable for vacuum deposition.

Sigma Aldrich - 467634

Packaging
25, 100 g in poly bottle
Physical form
Some agglomeration of nanoparticles may occur during the drying process, yielding particle sizes of up to 75 microns. These agglomerates can be broken up through ultrasonication, ball milling, or dispersion in solution with a surfactant.
Protocols & Applications
Perovskite-phase Metal Oxide Nanostructures: Synthesis, Properties, and Applications

Sigma Aldrich - 208108

Application
A dielectric ceramic used for capacitors.
Packaging
2 kg in poly bottle
500 g in poly bottle

Sigma Aldrich - 11848

Analysis Note
ICP assay confirms Ba and Ti components