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13053-54-8 molecular structure
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tantalum(5+) ion pentakis(2,2,2-trifluoroethan-1-olate)

ChemBase ID: 303454
Molecular Formular: C10H10F15O5Ta
Molecular Mass: 676.107348
Monoisotopic Mass: 675.97686672
SMILES and InChIs

SMILES:
C(C(F)(F)F)[O-].C(C(F)(F)F)[O-].C(C(F)(F)F)[O-].C(C(F)(F)F)[O-].C(C(F)(F)F)[O-].[Ta+5]
Canonical SMILES:
[O-]CC(F)(F)F.[O-]CC(F)(F)F.[O-]CC(F)(F)F.[O-]CC(F)(F)F.[O-]CC(F)(F)F.[Ta+5]
InChI:
InChI=1S/5C2H2F3O.Ta/c5*3-2(4,5)1-6;/h5*1H2;/q5*-1;+5
InChIKey:
XPQYLUGYVZNMLC-UHFFFAOYSA-N

Cite this record

CBID:303454 http://www.chembase.cn/molecule-303454.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tantalum(5+) ion pentakis(2,2,2-trifluoroethan-1-olate)
IUPAC Traditional name
tantalum(5+) ion pentakis(2,2,2-trifluoroethanolate)
Synonyms
Tantalum(V) 2,2,2-trifluoroethoxide
2,2,2-三氟乙醇钽(V)
CAS Number
13053-54-8
MDL Number
MFCD00145348

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 39629 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 11.4913225  H Acceptors
H Donor LogD (pH = 5.5) 0.43651873 
LogD (pH = 7.4) 0.436484  Log P 0.43651918 
Molar Refractivity 24.2617 cm3 Polarizability 4.785957 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
115°C/0.1mm expand Show data source
Flash Point
>65°C(>150°F) expand Show data source
Density
1.9 expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
X expand Show data source
Risk Statements
22-38-41 expand Show data source
Safety Statements
26-36/37/39 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS05 expand Show data source
GHS07 expand Show data source
GHS Hazard statements
H318-H315-H302 expand Show data source
GHS Precautionary statements
P280-P305+P351+P338-P315 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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