disodium bicyclo[3.3.1]tetraboroxane-3,7-bis(olate) decahydrate

• ChemBase ID: 126206
• Molecular Formular: B4H20Na2O17
• Molecular Mass: 381.37214
• Monoisotopic Mass: 382.08680934
• SMILES: [Na+].[Na+].[O-]B1OB2OB([O-])OB(O1)O2.O.O.O.O.O.O.O.O.O.O
• Canonical SMILES: [O-]B1OB2OB(OB(O1)O2)[O-].O.O.O.O.O.O.O.O.O.O.[Na+].[Na+]
• InChI: InChI=1S/B4O7.2Na.10H2O/c5-1-7-3-9-2(6)10-4(8-1)11-3;;;;;;;;;;;;/h;;;10*1H2/q-2;2*+1
• InChIKey: CDMADVZSLOHIFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium bicyclo[3.3.1]tetraboroxane-3,7-bis(olate) decahydrate
• IUPAC Traditional name: disodium bicyclo[3.3.1]tetraboroxane-3,7-bis(olate) decahydrate
• Synonyms: Borax decahydrate; Sodium borate decahydrate; Sodium tetraborate decahydrate; Borax; 硼砂 十水合物; 硼酸钠 十水合物; 四硼酸钠 十水合物

Database IDs

• CAS Number: 1303-96-4
• EC Number: 215-540-4
• MDL Number: MFCD00149193
• PubChem SID: 24847275; 24858964; 24899850; 24886340; 24891726; 24892161; 162220547
• PubChem CID: 16211214
• CHEMBL: 1076681
• Chemspider ID: 17339255
• Unique Ingredient Identifier: 91MBZ8H3QO
• Wikipedia Title: Borax

CALCULATED PROPERTIES

• Acid pKa: -12.53269
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.8531835
• LogD (pH = 7.4): -0.87984425
• Log P: 1.41
• Molar Refractivity: 44.9309 cm^3
• Polarizability: 10.755107 Å^3
• Polar Surface Area: 104.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: H2O: soluble0.1 M at 20 °C, clear, colorless; H2O: soluble0.1 M, clear, colorless
• Apperance: white solid
• Melting Point: 743 °C (anhydrous)
• Boiling Point: 1575 °C
• Density: 1.73 g/cm^3 (solid); 1.73 g/mL at 25 °C(lit.)
• Absorption Wavelength: λ: 260 nm Amax: 0.012; λ: 280 nm Amax: 0.010
• pH: 9.0-9.5 (25 °C, 0.1 M in H2O); 9.0-9.6 (20 °C, 5%); 9.0-9.6 (25 °C, 4% in H2O); 9.15-9.20 (25 °C, 0.01 M in H2O); 9.15-9.20 (25 °C, 0.01 M in solution)

Safety Information

• RTECS: VZ2275000
• European Hazard Symbols: Toxic (T)
• German water hazard class: 1
• Risk Statements: 60-61
• Safety Statements: 53-45
• GHS Pictograms: GHS08
• GHS Signal Word: Danger
• NFPA704:
  

  0

  1

  0
• GHS Hazard statements: H360FD
• GHS Precautionary statements: P201-P308 + P313
• Personal Protective Equipment: Eyeshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges

Product Information

• Purity: ≥99.0% (T); ≥99.5%; ≥99.5% (T); 99.0-103.0%; 99.5-100.5%; 99.5-105.0%
• Grade: ACS reagent; ACS reagent, reag. ISO; JIS special grade; puriss.; puriss. p.a.; purum p.a.; ReagentPlus®; SAJ first grade
• Suitability: complies for appearance of solution
• Impurities: ≤0.001% ammonium (NH4); ≤0.001% Phosphorus (P); ≤0.002% heavy metals (as Pb); ≤0.005% Insoluble matter; ≤0.005% insolubles; ≤0.1% Insoluble matter; carbonate and Bicarbonate, complies; insoluble matter, passes filter test; organic volatile impurities, complies; residual solvents, complies
• Cation Traces: Al: ≤0.0005%; Al: ≤5 mg/kg; As: ≤0.1 mg/kg; As: ≤0.5 mg/kg; As: ≤1 mg/kg; As: ≤3 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤0.005%; Ca: ≤0.01%; Ca: ≤100 mg/kg; Ca: ≤50 mg/kg; Ca: ≤500 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤0.0005%; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤0.001%; Fe: ≤20 mg/kg; Fe: ≤5 mg/kg; Fe: ≤5 ppm; Fe: ≤50 mg/kg; heavy metals (as Pb): ≤0.001%; heavy metals: ≤0.001%; K: ≤0.005%; K: ≤100 mg/kg; K: ≤50 mg/kg; Li: ≤20 mg/kg; Mg: ≤0.0005%; Mg: ≤10 mg/kg; Mg: ≤5 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; NH4+: ≤0.05%; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤0.001%; Pb: ≤5 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Zn: ≤0.0005%; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤0.001%; chloride (Cl-): ≤0.05%; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤50 mg/kg; phosphate (PO43-): ≤0.001%; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤0.005%; sulfate (SO42-): ≤0.05%; sulfate (SO42-): ≤50 mg/kg
• pH Range: 9.15 - 9.20
• Quality: crystallized; meets analytical specification of Ph. Eur., BP, NF
• λ: 0.1 M in H2O
• Product Line: BioUltra; BioXtra
• Linear Formula: Na2B4O7 · 10H2O

DETAILS

Sigma Aldrich - 71999

Other Notes
Primary standard buffer1

Sigma Aldrich - S9640

Packaging
2.5 kg in poly drum
25, 500 g in poly bottle

Sigma Aldrich - B9876

Application
Widely used as a buffer. pH of a solution is approx. 9.3 over a wide range of concentrations.
Packaging
1 kg in poly bottle
5 kg in poly drum
500 g in poly bottle
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

Sigma Aldrich - 28-4460

Suitability
pH standard solution