lithium(1+) ion formate hydrate

• ChemBase ID: 106787
• Molecular Formular: CH3LiO3
• Molecular Mass: 69.97372
• Monoisotopic Mass: 70.02422351
• SMILES: [Li+].O.[O-]C=O
• Canonical SMILES: [O-]C=O.[Li+].O
• InChI: InChI=1S/CH2O2.Li.H2O/c2-1-3;;/h1H,(H,2,3);;1H2/q;+1;/p-1
• InChIKey: RDAKCPVJSPEDON-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion formate hydrate
• IUPAC Traditional name: LithoTab formira hydrate; lithium(1+) ion formate hydrate
• Synonyms: Lithium formate hydrate; LITHIUM FORMATE; Formic acid lithium salt; Lithium formate monohydrate; 甲酸锂水合物; 甲酸 锂盐; 甲酸锂 一水合物

Database IDs

• CAS Number: 6108-23-2
• EC Number: 209-133-0
• MDL Number: MFCD00050823; MFCD00150507
• PubChem SID: 162094272; 24867962
• PubChem CID: 23702287

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

Physical Property

• Apperance: crystals and lumps
• Melting Point: 94°C dec.

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; R:14/15-34
• Safety Statements: 26-36; 26-37; S:8-45
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: HCO2Li · H2O

DETAILS

Sigma Aldrich - 442690

Packaging
100, 500 g in glass bottle