disodium decahydrate oxoboranyl [(oxoboranyl boronato)oxy]boronate

• ChemBase ID: 295390
• Molecular Formular: B4H22Na2O17
• Molecular Mass: 383.38802
• Monoisotopic Mass: 384.10245941
• SMILES: [BH](=O)OB([O-])OB([O-])O[BH]=O.O.O.O.O.O.O.O.O.O.O.[Na+].[Na+]
• Canonical SMILES: O=[BH]OB(OB(O[BH]=O)[O-])[O-].O.O.O.O.O.O.O.O.O.O.[Na+].[Na+]
• InChI: InChI=1S/B4O7.2Na.10H2O/c5-1-9-3(7)11-4(8)10-2-6;;;;;;;;;;;;/h;;;10*1H2/q-2;2*+1
• InChIKey: OJPFLODMGUZMKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium decahydrate oxoboranyl [(oxoboranyl boronato)oxy]boronate
• IUPAC Traditional name: disodium decahydrate oxoboranyl (oxoboranyl boronato)oxyboronate
• Synonyms: Borax; Sodium borate (tetra) decahydrate; Sodium tetraborate decahydrate; Sodium tetraborate decahydrate, ACS; 十水四硼酸钠; 十水四硼酸钠, ACS

Database IDs

• CAS Number: 1303-96-4
• EC Number: 215-540-4
• MDL Number: MFCD00149193
• Merck Index: 148590
• PubChem SID: 180680921
• PubChem CID: 11954323

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: Soluble in water, glycerol. Insoluble in alcohol
• Apperance: Powder
• Melting Point: 75°C
• Density: 1.73

Safety Information

• RTECS: VZ2275000
• European Hazard Symbols: Toxic (T)
• Risk Statements: 60-61
• Safety Statements: 53-45
• TSCA Listed: 是
• GHS Pictograms: GHS08
• GHS Hazard statements: H360; H360-H303
• GHS Precautionary statements: P201-P312-P308+P313; P281-P201-P202-P308+P313-P405-P501A

Product Information

• Purity: 99.5-105.0%; 99+%