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21864-26-6 molecular structure
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tantalum(5+) ion potassium hexakis(propan-2-olate)

ChemBase ID: 303301
Molecular Formular: C18H42KO6Ta
Molecular Mass: 574.56868
Monoisotopic Mass: 574.20984074
SMILES and InChIs

SMILES:
CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].CC(C)[O-].[K+].[Ta+5]
Canonical SMILES:
[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[O-]C(C)C.[K+].[Ta+5]
InChI:
InChI=1S/6C3H7O.K.Ta/c6*1-3(2)4;;/h6*3H,1-2H3;;/q6*-1;+1;+5
InChIKey:
DGYDIVXTNROXOD-UHFFFAOYSA-N

Cite this record

CBID:303301 http://www.chembase.cn/molecule-303301.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tantalum(5+) ion potassium hexakis(propan-2-olate)
IUPAC Traditional name
tantalum(5+) ion potassium hexakis(propan-2-olate)
Synonyms
Potassium tantalum isopropoxide
异丙醇钽钾
CAS Number
21864-26-6
MDL Number
MFCD00210644

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 39167 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.262587  H Acceptors
H Donor LogD (pH = 5.5) 0.2548059 
LogD (pH = 7.4) 0.25480592  Log P 0.25480592 
Molar Refractivity 27.979 cm3 Polarizability 6.5838666 Å3
Polar Surface Area 23.06 Å2 Rotatable Bonds
Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Liquid expand Show data source
Boiling Point
210-220°C/0.1mm expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Flammable Flammable (F) expand Show data source
Irritant Irritant (Xi) expand Show data source
UN Number
UN1219 expand Show data source
Hazard Class
3 expand Show data source
Packing Group
II expand Show data source
Risk Statements
11-36/38-67 expand Show data source
Safety Statements
16-26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H225-H315-H319-H336 expand Show data source
GHS Precautionary statements
P210-P280G-P305+P351+P338-P337+P313 expand Show data source
Purity
5% w/v in isopropanol expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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