disodium tetrahydroxybicyclo[3.3.1]tetraboroxane-1,5-diuide octahydrate

• ChemBase ID: 105467
• Molecular Formular: B4H20Na2O17
• Molecular Mass: 381.37214
• Monoisotopic Mass: 382.08680934
• SMILES: O.O.O.O.O.O.O.O.[Na+].[Na+].OB1O[B-]2(O)OB(O)O[B-](O)(O1)O2
• Canonical SMILES: OB1O[B-]2(O)OB(O[B-](O1)(O2)O)O.O.O.O.O.O.O.O.O.[Na+].[Na+]
• InChI: InChI=1S/B4H4O9.2Na.8H2O/c5-1-9-3(7)11-2(6)12-4(8,10-1)13-3;;;;;;;;;;/h5-8H;;;8*1H2/q-2;2*+1
• InChIKey: OQSOCUIYOAGFKW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium tetrahydroxybicyclo[3.3.1]tetraboroxane-1,5-diuide octahydrate
• IUPAC Traditional name: dipotassium tetraborate(2-) octahydrate
• Synonyms: Sodium tetraborate; BORAX; Borax, Fused; SODIUM BORATE DECAHYDRATE ACS REAGENT GRADE

Database IDs

• CAS Number: 1303-96-4
• EC Number: 215-540-4
• PubChem SID: 162093612
• PubChem CID: 16722143

CALCULATED PROPERTIES

• Acid pKa: 9.351737
• H Acceptors: 9
• H Donor: 4
• LogD (pH = 5.5): -3.5888608
• LogD (pH = 7.4): -3.5936134
• Log P: -3.5888
• Molar Refractivity: 17.0094 cm^3
• Polarizability: 14.328331 Å^3
• Polar Surface Area: 127.07 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 741°C
• Boiling Point: 1575°C
• Density: 1.730 g/ml; 2.367 g/ml

Safety Information

• Storage Condition: Room Temperature (15-30°C); Room Temperature (15-30°C), Desiccate
• RTECS: VZ2275000
• European Hazard Symbols: Harmful (Xn)
• Risk Statements: R:22
• Safety Statements: S:36/37/39

Product Information

• Purity: ~99%; 99.5-102.0%
• Grade: ACS; REAGENT

DETAILS

MP Biomedicals - 02190308

Purity: ~99%
Used as a buffer
pH in solution approx. 9.3

MP Biomedicals - 02191436

ACS Reagent Grade
Crystalline
Purity: 99.5-102.0%
Decahydrate
Insoluble Matter: =0.005%