Home > Compound List > Compound details
21864-24-4 molecular structure
click picture or here to close

tantalum(5+) ion lithium(1+) ion hexakis(propan-2-olate)

ChemBase ID: 303528
Molecular Formular: C18H42LiO6Ta
Molecular Mass: 542.41138
Monoisotopic Mass: 542.26213861
SMILES and InChIs

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

Cite this record

CBID:303528 http://www.chembase.cn/molecule-303528.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tantalum(5+) ion lithium(1+) ion hexakis(propan-2-olate)
IUPAC Traditional name
tantalum(5+) ion lithium(1+) ion hexakis(propan-2-olate)
Synonyms
Lithium tantalum isopropoxide
异丙氧基钽锂
CAS Number
21864-24-4
MDL Number
MFCD00798538

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Alfa Aesar 40520 external link Add to cart
Data Source Data ID Price
Alfa Aesar
40520 external link Add to cart Please log in.
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
Wet Solid expand Show data source
Boiling Point
160-180°C/0.1mm expand Show data source
Storage Warning
Moisture Sensitive expand Show data source
European Hazard Symbols
Corrosive Corrosive (C) expand Show data source
Flammable Flammable (F) expand Show data source
UN Number
UN2925 expand Show data source
Hazard Class
4.1 expand Show data source
Packing Group
III expand Show data source
Risk Statements
11-34 expand Show data source
Safety Statements
16-26-36/37/39-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS02 expand Show data source
GHS05 expand Show data source
GHS Hazard statements
H314-H228 expand Show data source
GHS Precautionary statements
P210-P280-P303+P361+P353-P305+P351+P338-P310 expand Show data source
Purity
99.9% (metals basis) expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle