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20219-33-4 molecular structure
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tantalum(5+) ion (2Z)-4-oxopent-2-en-2-olate tetraethanolate

ChemBase ID: 303455
Molecular Formular: C13H27O6Ta
Molecular Mass: 460.29778
Monoisotopic Mass: 460.12875858
SMILES and InChIs

SMILES:
CC[O-].CC[O-].CC[O-].CC[O-].C/C(=C/C(=O)C)/[O-].[Ta+5]
Canonical SMILES:
[O-]/C(=C\C(=O)C)/C.[O-]CC.[O-]CC.[O-]CC.[O-]CC.[Ta+5]
InChI:
InChI=1S/C5H8O2.4C2H5O.Ta/c1-4(6)3-5(2)7;4*1-2-3;/h3,6H,1-2H3;4*2H2,1H3;/q;4*-1;+5/p-1/b4-3-;;;;;
InChIKey:
LSALXRIVOAYYJW-GLUPTGNJSA-M

Cite this record

CBID:303455 http://www.chembase.cn/molecule-303455.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tantalum(5+) ion (2Z)-4-oxopent-2-en-2-olate tetraethanolate
IUPAC Traditional name
tantalum(5+) ion tetrakis(ethoxide) (2Z)-4-oxopent-2-en-2-olate
Synonyms
Tantalum(V) acetylacetonate tetraethoxide
Tantalum(V) tetraethoxide 2,4-pentanedionate
四乙醇乙酰丙酮钽(V)
CAS Number
20219-33-4
MDL Number
MFCD00145349

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Alfa Aesar 39630 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 9.890059  H Acceptors
H Donor LogD (pH = 5.5) 0.34448203 
LogD (pH = 7.4) 0.34309724  Log P 0.3444997 
Molar Refractivity 39.1896 cm3 Polarizability 10.113493 Å3
Polar Surface Area 40.13 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
Solid expand Show data source
Melting Point
45°C expand Show data source
Boiling Point
95°C/0.5mm expand Show data source
Flash Point
>65°C(149°F) expand Show data source
Density
1.5 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
Risk Statements
36/38 expand Show data source
Safety Statements
26-37 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Hazard statements
H315-H319 expand Show data source
GHS Precautionary statements
P280G-P305+P351+P338 expand Show data source
Purity
99.99%, (metals basis) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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