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12047-27-7 molecular structure
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barium(2+) ion oxotitaniumbis(olate)

ChemBase ID: 107555
Molecular Formular: BaO3Ti
Molecular Mass: 233.1922
Monoisotopic Mass: 233.83793716
SMILES and InChIs

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

Cite this record

CBID:107555 http://www.chembase.cn/molecule-107555.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

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

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 2.69897  H Acceptors
H Donor LogD (pH = 5.5) -3.578295 
LogD (pH = 7.4) -3.7371097  Log P -1.4238 
Molar Refractivity 4.3287 cm3 Polarizability 5.2817564 Å3
Polar Surface Area 63.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Insoluble in water, alkalies. Slightly soluble in dilute acids. Soluble in concentrated acids expand Show data source
Apperance
<2 Micron Powder expand Show data source
0.05-0.07 Micron APS Powder, S.A. 10-30m2/g expand Show data source
3-12mm Pieces expand Show data source
-325 Mesh Powder expand Show data source
nanopowder (cubic crystalline phase) expand Show data source
pieces expand Show data source
powder expand Show data source
Powder expand Show data source
sintered expand Show data source
Melting Point
1620°C expand Show data source
Density
5.85 expand Show data source
6.08 g/mL at 25 °C(lit.) expand Show data source
Dielectric Constant
150 expand Show data source
RTECS
XR1437333 expand Show data source
European Hazard Symbols
X expand Show data source
Harmful Harmful (Xn) expand Show data source
UN Number
1564 expand Show data source
UN1564 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
20/22 expand Show data source
Safety Statements
28 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H332 expand Show data source
GHS Precautionary statements
P261-P264-P304+P340-P301+P312-P312-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
RID/ADR
UN 1564 6.1/PG 3 expand Show data source
Purity
≥98.0% expand Show data source
≥99% trace metals basis expand Show data source
99% expand Show data source
99% (metals basis) expand Show data source
99.7% (metals basis) expand Show data source
99.9% (metals basis) expand Show data source
99.9% trace metals basis expand Show data source
99.99% (metals basis) expand Show data source
99.995% trace metals basis expand Show data source
99+% (metals basis) expand Show data source
Grade
purum expand Show data source
Particle Size
<100 nm (BET) expand Show data source
<2 μm expand Show data source
<3 μm expand Show data source
3-12 mm expand Show data source
Certificate of Analysis
Download expand Show data source
Loss on Drying
≤1% loss on ignition expand Show data source
Linear Formula
BaTiO3 expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05204151 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - 338842 external link
Packaging
100, 500 g in poly bottle
Sigma Aldrich - 256552 external link
Packaging
10 g in poly bottle
Sigma Aldrich - 342939 external link
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 external link
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 external link
Application
A dielectric ceramic used for capacitors.
Packaging
2 kg in poly bottle
500 g in poly bottle
Sigma Aldrich - 11848 external link
Analysis Note
ICP assay confirms Ba and Ti components

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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