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25890-20-4 molecular structure
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di(6Li)lithium(1+) ion carbonate

ChemBase ID: 149176
Molecular Formular: CLi2O3
Molecular Mass: 72.03914559
Monoisotopic Mass: 72.01498945
SMILES and InChIs

SMILES:
[6Li+].[6Li+].C(=O)([O-])[O-]
Canonical SMILES:
[O-]C(=O)[O-].[6Li+].[6Li+]
InChI:
InChI=1S/CH2O3.2Li/c2-1(3)4;;/h(H2,2,3,4);;/q;2*+1/p-2/i;2*1-1
InChIKey:
XGZVUEUWXADBQD-OUDCDBHYSA-L

Cite this record

CBID:149176 http://www.chembase.cn/molecule-149176.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
di(6Li)lithium(1+) ion carbonate
IUPAC Traditional name
di(6Li)lithium(1+) ion carbonate
Synonyms
Lithium-6Li2 carbonate
Lithium-6Li carbonate
Lithium-6Li2 carbonate
碳酸锂-6Li2
碳酸锂-6Li
碳酸锂-6Li2
CAS Number
25890-20-4
MDL Number
MFCD00084253
PubChem SID
162243344
24870872
PubChem CID
71311391

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 71311391 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 6.0525417  H Acceptors
H Donor LogD (pH = 5.5) 0.142811 
LogD (pH = 7.4) -1.1138874  Log P 0.25005138 
Molar Refractivity 31.1724 cm3 Polarizability 3.6386902 Å3
Polar Surface Area 63.19 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
720 °C(lit.) expand Show data source
Mass Shift
M-2 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
61-22-36-62-64 expand Show data source
Safety Statements
53-22-36/37/39-45 expand Show data source
GHS Pictograms
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H302-H319-H362 expand Show data source
GHS Precautionary statements
P263-P305 + P351 + P338 expand Show data source
Grade
BCR® certified Reference Material expand Show data source
Isotopic Purity
95 atom % 6Li expand Show data source
Mol. Weight
mol wt 72.14 by atom % calculation expand Show data source
Linear Formula
6Li2CO3 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 473111 external link
Packaging
1 g in glass bottle
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
Sigma Aldrich - IRMM015 external link
General description
Isotope abundance ratio
Legal Information
BCR is a registered trademark of European Commission

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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