lithium(1+) ion 2-hydroxybenzoate

• ChemBase ID: 146633
• Molecular Formular: C7H5LiO3
• Molecular Mass: 144.0538
• Monoisotopic Mass: 144.03987357
• SMILES: [Li+].c1ccc(c(c1)C(=O)[O-])O
• Canonical SMILES: [O-]C(=O)c1ccccc1O.[Li+]
• InChI: InChI=1S/C7H6O3.Li/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
• InChIKey: PSBOOKLOXQFNPZ-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion 2-hydroxybenzoate
• IUPAC Traditional name: lithium(1+) ion salicylate
• Synonyms: Salicylic acid lithium salt; Lithium salicylate; Lithium salicylate, tech.; 水杨酸 锂盐; 水杨酸锂; 水杨酸锂, tech.

Database IDs

• CAS Number: 552-38-5
• EC Number: 209-011-7
• MDL Number: MFCD00045813
• Beilstein Number: 3732791
• PubChem SID: 162240827; 24882251; 24873994
• PubChem CID: 23663621

CALCULATED PROPERTIES

• Acid pKa: 2.7897391
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.6725287
• LogD (pH = 7.4): -1.5175761
• Log P: 1.9772635
• Molar Refractivity: 46.1322 cm^3
• Polarizability: 13.208861 Å^3
• Polar Surface Area: 60.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Soluble in water
• Apperance: Powder
• Melting Point: >350 °C(lit.); dec.

Safety Information

• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 22-36/38; 36/37/38
• Safety Statements: 22-26-36; 26-37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥98.0% (NT); 99.99% trace metals basis
• Grade: purum
• Impurities: ≤0.5% water
• Linear Formula: HOC6H4CO2Li

DETAILS

Sigma Aldrich - 518026

Packaging
25 g in glass bottle