di(6Li)lithium(1+) ion carbonate

• ChemBase ID: 149176
• Molecular Formular: CLi2O3
• Molecular Mass: 72.03914559
• Monoisotopic Mass: 72.01498945
• 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

NAMES AND DATABASE IDS

Names

• 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

Database IDs

• CAS Number: 25890-20-4
• MDL Number: MFCD00084253
• PubChem SID: 162243344; 24870872
• PubChem CID: 71311391

CALCULATED PROPERTIES

• Acid pKa: 6.0525417
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.142811
• LogD (pH = 7.4): -1.1138874
• Log P: 0.25005138
• Molar Refractivity: 31.1724 cm^3
• Polarizability: 3.6386902 Å^3
• Polar Surface Area: 63.19 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 720 °C(lit.)
• Mass Shift: M-2

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 3
• Risk Statements: 61-22-36-62-64
• Safety Statements: 53-22-36/37/39-45
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319-H362
• GHS Precautionary statements: P263-P305 + P351 + P338

Product Information

• Grade: BCR® certified Reference Material
• Isotopic Purity: 95 atom % 6Li
• Mol. Weight: mol wt 72.14 by atom % calculation
• Linear Formula: 6Li2CO3

DETAILS

Sigma Aldrich - 473111

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

General description
Isotope abundance ratio
Legal Information
BCR is a registered trademark of European Commission