dilithium(1+) ion oxoboranyl [(oxoboranyl boronato)oxy]boronate

• ChemBase ID: 107970
• Molecular Formular: B4H2Li2O7
• Molecular Mass: 171.13768
• Monoisotopic Mass: 172.0492831
• SMILES: [Li+].[Li+].[O-]B(O[BH]=O)OB([O-])O[BH]=O
• Canonical SMILES: O=[BH]OB(OB(O[BH]=O)[O-])[O-].[Li+].[Li+]
• InChI: InChI=1S/B4O7.2Li/c5-1-9-3(7)11-4(8)10-2-6;;/q-2;2*+1
• InChIKey: PSHMSSXLYVAENJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dilithium(1+) ion oxoboranyl [(oxoboranyl boronato)oxy]boronate
• IUPAC Traditional name: diLithoTab oxoboranyl (oxoboranyl boronato)oxyboronate; dilithium(1+) ion oxoboranyl (oxoboranyl boronato)oxyboronate
• Synonyms: Lithium tetraborate, Puratronic®; LITHIUM BORATE (TETRA); Lithium borate; Lithium borate; Lithium tetraborate; 四硼酸锂, Puratronic®; 四硼酸锂

Database IDs

• CAS Number: 12007-60-2
• EC Number: 234-514-3
• MDL Number: MFCD00011083
• Merck Index: 145524
• PubChem SID: 24853340; 24855374; 162093575; 24882253; 24858979
• PubChem CID: 15764247
• Chemspider ID: 21169645
• Wikipedia Title: Lithium_borate

CALCULATED PROPERTIES

• Acid pKa: 8.192749
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.4375246
• LogD (pH = 7.4): 3.3738635
• Log P: 3.4384
• Molar Refractivity: 9.8222 cm^3
• Polarizability: 11.404126 Å^3
• Polar Surface Area: 107.95 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: slightly soluble; moderately soluble in water
• Apperance: -22 Mesh Powder; powder; Powder; white powder
• Melting Point: 760-880 °C(lit.); 917 °C; 930°C
• Density: ≥0.25 g/mL at 25 °C(lit.); 2.4; 2.4 g/cm^3, solid

Safety Information

• European Hazard Symbols: X; Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 22-36/37/38; 36/37/38
• Safety Statements: 26-36; 26-36/37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• NFPA704:
  

  0

  2

  0
• 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%; ≥98.0% (T); ≥99.9% trace metals basis; ≥99.995% trace metals basis; 98.0-102.0%; 98.0-102.0% (ACS, T); 99% (metals basis); 99.6% (metals basis); 99.998% (metals basis)
• Grade: ACS reagent; puriss. p.a.
• Particle Size: 20 μm
• Impurities: ≤0.005% Heavy metals (as Pb); ≤0.01% insolubles
• Cation Traces: Ag: ≤5 mg/kg; Al: ≤0.001%; Al: ≤5 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.01%; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Co: ≤5 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Fe: ≤0.001%; Fe: ≤10 mg/kg; heavy metals: ≤0.001%; K: ≤0.005%; K: ≤50 mg/kg; Mg: ≤10 mg/kg; Mg: ≤5 mg/kg; Mg: ≤5 ppm; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤0.005%; Na: ≤50 mg/kg; Ni: ≤5 mg/kg; Pb: ≤5 mg/kg; Si: ≤0.01%; Sr: ≤5 mg/kg; Tl: ≤10 mg/kg; Zn: ≤5 mg/kg
• Antion Traces: chloride (Cl-): ≤50 mg/kg; phosphate (PO43-): ≤20 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: ≤2.0% loss on fusion, 950°C; 2.0% loss on fusion, 950°C
• Quality: anhydrous
• Linear Formula: Li2B4O7

DETAILS

MP Biomedicals - 05205631

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 254304

Packaging
25, 100 g in poly bottle

Sigma Aldrich - 222534

Application
Used as a spectroscopic fluxing agent.
Packaging
1 kg in poly bottle
250 g in poly bottle

Sigma Aldrich - 62610

Other Notes
Reagent for the decomposition of oxides and silicates by fusion1,2