dipotassium tetrahydrate oxoboranyl [(oxoboranyl boronato)oxy]boronate

• ChemBase ID: 137951
• Molecular Formular: B4H10K2O11
• Molecular Mass: 307.5134
• Monoisotopic Mass: 307.9869461
• SMILES: [BH](=O)OB(OB(O[BH]=O)[O-])[O-].O.O.O.O.[K+].[K+]
• Canonical SMILES: O=[BH]OB(OB(O[BH]=O)[O-])[O-].O.O.O.O.[K+].[K+]
• InChI: InChI=1S/B4O7.2K.4H2O/c5-1-9-3(7)11-4(8)10-2-6;;;;;;/h;;;4*1H2/q-2;2*+1
• InChIKey: HPERZVLSBPUYIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dipotassium tetrahydrate oxoboranyl [(oxoboranyl boronato)oxy]boronate
• IUPAC Traditional name: dipotassium tetrahydrate oxoboranyl (oxoboranyl boronato)oxyboronate
• Synonyms: Potassium biborate; Potassium tetraborate tetrahydrate; Potassium borate (tetra); 硼酸钾; 四硼酸钾 四水合物; 四硼酸钾四水合物

Database IDs

• CAS Number: 12045-78-2
• EC Number: 215-575-5
• MDL Number: MFCD00149924
• Merck Index: 147680
• PubChem SID: 162232211; 24881912; 24881910; 24847270
• PubChem CID: 71310090

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: soluble0.1 M at 20 °C, clear, colorless; Soluble in water
• Apperance: Granular
• Melting Point: 100 °C(lit.); dec.
• Density: 1.74 (anhy)
• Absorption Wavelength: λ: 260 nm Amax: 0.027; λ: 280 nm Amax: 0.026
• pH: 9.0-10.5 (25 °C, 0.1 M in H2O)

Safety Information

• European Hazard Symbols: Toxic (T); X
• German water hazard class: 3
• Risk Statements: 60-61
• Safety Statements: 53-45
• TSCA Listed: 是
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H360; H360FD
• GHS Precautionary statements: P201-P308 + P313; P201-P308+P313
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥99%; ≥99.0% (T); 99%
• Grade: purum p.a.
• Impurities: ≤0.002% heavy metals (as Pb); insoluble matter, passes filter test
• Cation Traces: Al: ≤5 mg/kg; As: ≤0.1 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤20 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; Li: ≤5 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤1000 mg/kg; Na: ≤5000 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤20 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤20 mg/kg; chloride (Cl-): ≤50 mg/kg; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤50 mg/kg; sulfate (SO42-): ≤500 mg/kg
• λ: 0.1 M in H2O
• Product Line: BioUltra
• Linear Formula: K2B4O7 · 4H2O