lithium(1+) ion oxoborinate

• ChemBase ID: 104257
• Molecular Formular: BHLiO2
• Molecular Mass: 50.75874
• Monoisotopic Mass: 51.02296422
• SMILES: [Li+].[O-][BH]=O
• Canonical SMILES: [O-][BH]=O.[Li+]
• InChI: InChI=1S/BO2.Li/c2-1-3;/q-1;+1
• InChIKey: HZRMTWQRDMYLNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: lithium(1+) ion oxoborinate
• IUPAC Traditional name: lithium(1+) ion oxoborinate; LithoTab boron oxide hydroxide; lithium(1+) ion boron oxide hydroxide
• Synonyms: Lithium metaborate, anhydrous, tech.; Lithium metaborate, ACS; Lithium metaborate, Puratronic®; Lithium metaborate, anhydrous; LITHIUM METABORATE; LITHIUM METABORATE ACS REAGENT GRADE; boric acid; lithium salt; Boric acid lithium salt; Lithium metaborate; 偏硼酸锂,无水, tech.; 偏硼酸锂, ACS; 偏硼酸锂, Puratronic®; 无水偏硼酸锂 99%; 无水偏硼酸锂; 偏硼酸锂

Database IDs

• CAS Number: 13453-69-5
• EC Number: 236-631-5
• MDL Number: MFCD00011089
• PubChem SID: 162091874; 24865146; 24855372; 24852338; 24882256
• PubChem CID: 123308
• Chemspider ID: 109911
• Wikipedia Title: Lithium_metaborate

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 0.19313604
• LogD (pH = 7.4): -0.44406706
• Log P: 0.2124
• Molar Refractivity: 2.8858 cm^3
• Polarizability: 2.9952743 Å^3
• Polar Surface Area: 40.13 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• Acid pKa: 6.840891

PROPERTIES

Physical Property

• Solubility: soluble in ethanol; very soluble in water
• Apperance: powder; Powder; white hygroscopic monoclinic crystals
• Melting Point: 845 °C(lit.); 845°C; 849°C
• Density: 1.397; 1.397 g/ml; 2.223 g/cm^3
• Heat Capacity: 1.202 J/(g K)
• Std enthalpy of formation: -20.75 kJ/g

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Hygroscopic
• European Hazard Symbols: Corrosive (C); Flammable (F)
• German water hazard class: 1
• Risk Statements: R:14/15-34
• Safety Statements: S:8-45
• TSCA Listed: 是
• NFPA704:
  

  0

  2

  0
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98.0%; 98.0-102.0%; 98.0-102.0% (ACS specification); 98-102%; 99%; 99.9% (metals basis); 99.9% trace metals basis; 99.995% trace metals basis; 99.997% (metals basis)
• Grade: ACS; ACS reagent; purum p.a.; REAGENT
• Impurities: ≤0.004% P compounds; ≤0.01% insolubles
• Cation Traces: Al: ≤0.001%; Ca: ≤0.01%; Ca: ≤50 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.002%; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤0.001%; K: ≤0.005%; K: ≤100 mg/kg; Mg: ≤5 ppm; Na: ≤0.005%; Na: ≤100 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Si: ≤0.01%; Zn: ≤50 mg/kg
• Antion Traces: sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: ≤2% loss on ignition, 400 °C; ≤2.0% loss on fusion, 950°C
• Quality: molar ratio (B2O3/Li2O): 0.95-1.05
• Bulk Density: ≥0.25 g/mL
• Linear Formula: LiBO2

DETAILS

MP Biomedicals - 02155260

Purity: 99%

MP Biomedicals - 02194066

ACS Reagent Grade
Purity: 98-102%

Sigma Aldrich - 254282

Packaging
10, 100 g in poly bottle

Sigma Aldrich - 205524

Packaging
100, 500 g in poly bottle

Sigma Aldrich - 402966

Packaging
100 g in poly bottle