lithium(1+) ion (2H)

• ChemBase ID: 148932
• Molecular Formular: LiO
• Molecular Mass: 22.9404
• Monoisotopic Mass: 23.01091917
• SMILES: [OH-].[Li+]
• Canonical SMILES: [Li+].[OH-]
• InChI: InChI=1S/Li.H2O/h;1H2/q+1;/p-1
• InChIKey: WMFOQBRAJBCJND-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion (^2H)
• IUPAC Traditional name: lithium(1+) ion water-d1
• Synonyms: Lithium deuteroxide solution; 氚代氢氧化锂 溶液

Database IDs

• CAS Number: 12159-20-5
• MDL Number: MFCD00075389
• PubChem SID: 24861503; 162243102
• PubChem CID: 16212284

CALCULATED PROPERTIES

• Acid pKa: 15.7
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.652
• LogD (pH = 7.4): -0.652
• Log P: -0.652
• Molar Refractivity: 13.9149 cm^3
• Polarizability: 1.1434737 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Refractive Index: n20/D 1.363
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Harmful (Xn)
• UN Number: 2679
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 22-36/38
• Safety Statements: 26
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H302 + H332-H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• RID/ADR: UN 2679 8/PG 2

Product Information

• Concentration: 9 wt. % in D2O
• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 24.94 by atom % calculation
• Linear Formula: LiOD

DETAILS

Sigma Aldrich - 347450

Packaging
25, 100 g in poly bottle