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12031-66-2 molecular structure
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lithium(1+) ion tantalumoylolate

ChemBase ID: 141749
Molecular Formular: LiO3Ta
Molecular Mass: 235.8871
Monoisotopic Mass: 235.94874341
SMILES and InChIs

SMILES:
[Li+].[O-][Ta](=O)=O
Canonical SMILES:
[O-][Ta](=O)=O.[Li+]
InChI:
InChI=1S/Li.3O.Ta/q+1;;;-1;
InChIKey:
CIFJATMCNLSYQG-UHFFFAOYSA-N

Cite this record

CBID:141749 http://www.chembase.cn/molecule-141749.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
lithium(1+) ion tantalumoylolate
IUPAC Traditional name
lithium(1+) ion tantalumoylolate
Synonyms
Lithium tantalum trioxide
Lithium tantalate
Lithium tantalate
Lithium metatantalate
Lithium tantalum oxide
钽酸锂
CAS Number
12031-66-2
EC Number
234-757-5
MDL Number
MFCD00016174
PubChem SID
162235983
PubChem CID
5148101

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5148101 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa -2.0  H Acceptors
H Donor LogD (pH = 5.5) -3.5027976 
LogD (pH = 7.4) -3.5028  Log P -1.239 
Molar Refractivity 4.3287 cm3 Polarizability 9.69602 Å3
Polar Surface Area 57.2 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
-200 Mesh Powder expand Show data source
Melting Point
>300 °C expand Show data source
RTECS
WW5470000 expand Show data source
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
20/21/22 expand Show data source
Safety Statements
36 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-H312-H332 expand Show data source
GHS Precautionary statements
P280 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
≥99.99% expand Show data source
99.9% (metals basis) expand Show data source
Linear Formula
LiTaO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 704393 external link
Packaging
5 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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