lithium(1+) ion formate

• ChemBase ID: 108307
• Molecular Formular: CHLiO2
• Molecular Mass: 51.95844
• Monoisotopic Mass: 52.01365882
• SMILES: [Li+].[O-]C=O
• Canonical SMILES: [O-]C=O.[Li+]
• InChI: InChI=1S/CH2O2.Li/c2-1-3;/h1H,(H,2,3);/q;+1/p-1
• InChIKey: XKPJKVVZOOEMPK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion formate
• IUPAC Traditional name: lithium(1+) ion formate; LithoTab formira
• Synonyms: Formic acid lithium salt solution; Lithium formate solution; CARMINATE, LITHIUM; 甲酸 锂盐 溶液; 甲酸锂 溶液

Database IDs

• CAS Number: 12772-56-4; 556-63-8
• MDL Number: MFCD00050823
• PubChem SID: 162095625
• PubChem CID: 23680280

CALCULATED PROPERTIES

• Acid pKa: 4.269118
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.5255477
• LogD (pH = 7.4): -3.257304
• Log P: -0.27204442
• Molar Refractivity: 18.9903 cm^3
• Polarizability: 3.1383486 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36-67
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319-H336
• GHS Precautionary statements: P261-P305 + P351 + P338

Product Information

• Concentration: 10 mM LiOH in isopropanol/water 1:1 (+0.2% HCOOH)
• Suitability: corresponds for mass spectrometry; suitable for LC-MS
• Linear Formula: HCOOLi

DETAILS

MP Biomedicals - 05206870

MP Biomedicals Rare Chemical collection