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12047-27-7 molecular structure
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dibarium(2+) ion titaniumtetrakis(olate)

ChemBase ID: 126036
Molecular Formular: Ba2O4Ti
Molecular Mass: 386.5186
Monoisotopic Mass: 387.73809878
SMILES and InChIs

SMILES:
[Ba+2].[Ba+2].[O-][Ti]([O-])([O-])[O-]
Canonical SMILES:
[O-][Ti]([O-])([O-])[O-].[Ba+2].[Ba+2]
InChI:
InChI=1S/2Ba.4O.Ti/q2*+2;4*-1;
InChIKey:
JRPBQTZRNDNNOP-UHFFFAOYSA-N

Cite this record

CBID:126036 http://www.chembase.cn/molecule-126036.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
dibarium(2+) ion titaniumtetrakis(olate)
IUPAC Traditional name
dibarium(2+) ion titaniumtetrakis(olate)
Synonyms
Barium titanate
CAS Number
12047-27-7
PubChem SID
162220377
PubChem CID
6101006
21225548
Chemspider ID
10605734
Wikipedia Title
Barium_titanate

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.1448007  LogD (pH = 7.4) -2.1448 
Log P -2.1448  Molar Refractivity 5.7716 cm3
Polarizability 6.211973 Å3 Polar Surface Area 92.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Bioassay(PubChem)
Solubility
insoluble in water expand Show data source
slightly soluble in dilute mineral acids; dissolves in concentrated sulfuric acid and hydrofluoric acid expand Show data source
Apperance
white crystals expand Show data source
Melting Point
1625 °C expand Show data source
Density
6.02 g/cm3, solid expand Show data source
Odor
odorless expand Show data source
Bandgap
3.2 eV (300 K, single crystal) expand Show data source
RTECS
XR1437333 expand Show data source
Risk Statements
R20/22 expand Show data source
Safety Statements
S28A, S37, and S45 expand Show data source

DETAILS

DETAILS

Wikipedia Wikipedia

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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