disodium tetrahydroxy-1,2,4,5,3,6-tetraoxadiborinane-3,6-diuide

• ChemBase ID: 129545
• Molecular Formular: B2H4Na2O8
• Molecular Mass: 199.6285
• Monoisotopic Mass: 199.98876645
• SMILES: [Na+].[Na+].O[B-]1(OO[B-](O)(O)OO1)O
• Canonical SMILES: O[B-]1(O)OO[B-](OO1)(O)O.[Na+].[Na+]
• InChI: InChI=1S/B2H4O8.2Na/c3-1(4)7-9-2(5,6)10-8-1;;/h3-6H;;/q-2;2*+1
• InChIKey: JBUKJLNBQDQXLI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: disodium tetrahydroxy-1,2,4,5,3,6-tetraoxadiborinane-3,6-diuide
• IUPAC Traditional name: disodium perborate
• Synonyms: PBS-1 (mono); PBS-4 (tetra); Sodium perborate; Sodium perborate tetrahydrate, Reagent Grade; 过硼酸钠四水合物,试剂级

Database IDs

• CAS Number: 10486-00-7; 7632-04-4
• EC Number: 239-172-9; 231-556-4
• MDL Number: MFCD00149231
• Merck Index: 148652
• PubChem SID: 162223837
• PubChem CID: 5460514
• CHEBI ID: 30178
• ATC CODE: A01AB19
• Chemspider ID: 4574023
• Unique Ingredient Identifier: Y52BK1W96C
• Wikipedia Title: Sodium_perborate

CALCULATED PROPERTIES

• H Acceptors: 8
• H Donor: 4
• LogD (pH = 5.5): -6.06
• LogD (pH = 7.4): -6.06
• Log P: -6.06
• Molar Refractivity: 15.6592 cm^3
• Polarizability: 10.538063 Å^3
• Polar Surface Area: 117.84 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 2.15 g/100 mL (tetrahydrate, 18 °C) in water
• Apperance: Granular; white powders
• Melting Point: 60°C dec.; 63 °C (tetrahydrate)
• Boiling Point: 130-150 °C (tetrahydrate, decomp)
• Flash Point: non-flammable
• Density: 1.73
• Odor: odorless

Safety Information

• Storage Warning: Hygroscopic
• RTECS: SC7350000
• European Hazard Symbols: Toxic (T)
• UN Number: 1479
• Risk Statements: 61-62-37-41
• Safety Statements: 53-45-47
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07; GHS08
• NFPA704:
  

  1

  1

  0
• GHS Hazard statements: H360-H318-H302-H335
• GHS Precautionary statements: P261-P280-P281-P305+P351+P338-P405-P501A