sodium 1,2,3-dioxaboriran-3-olate tetrahydrate

• ChemBase ID: 158763
• Molecular Formular: BH8NaO7
• Molecular Mass: 153.86009
• Monoisotopic Mass: 154.02607728
• SMILES: B1(OO1)[O-].O.O.O.O.[Na+]
• Canonical SMILES: [O-]B1OO1.O.O.O.O.[Na+]
• InChI: InChI=1S/BO3.Na.4H2O/c2-1-3-4-1;;;;;/h;;4*1H2/q-1;+1
• InChIKey: IBDSNZLUHYKHQP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 1,2,3-dioxaboriran-3-olate tetrahydrate
• IUPAC Traditional name: sodium 1,2,3-dioxaboriran-3-olate tetrahydrate
• Synonyms: Sodium perborate tetrahydrate; 过硼酸钠 四水合物

Database IDs

• CAS Number: 10486-00-7
• EC Number: 231-556-4
• MDL Number: MFCD00149231
• PubChem SID: 24854653; 162252899; 24886309
• PubChem CID: 23693097

CALCULATED PROPERTIES

• Acid pKa: 7.2932324
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0993025
• LogD (pH = 7.4): 0.7515281
• Log P: 1.1062
• Molar Refractivity: 4.1433 cm^3
• Polarizability: 3.917734 Å^3
• Polar Surface Area: 44.82 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60 °C (dec.)(lit.)

Safety Information

• RTECS: SC7350000
• European Hazard Symbols: Oxidising (O); Toxic (T)
• German water hazard class: 3
• Risk Statements: 61-8-22-37-41-62
• Safety Statements: 53-45
• GHS Pictograms: GHS03; GHS05; GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H272-H302-H318-H335-H360Df
• GHS Precautionary statements: P201-P220-P261-P280-P305 + P351 + P338-P308 + P313
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥10% active oxygen basis; ≥95.0%; ≥97.0% (RT)
• Grade: purum p.a.; SAJ first grade
• Cation Traces: Ca: ≤200 mg/kg; Cd: ≤50 mg/kg; Co: ≤50 mg/kg; Cu: ≤50 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; Ni: ≤50 mg/kg; Pb: ≤50 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤500 mg/kg; sulfate (SO42-): ≤1500 mg/kg
• Quality: 9-11% available Oxygen
• Linear Formula: NaBO3 · 4H2O

DETAILS

Sigma Aldrich - 244120

Packaging
100, 500 g in poly bottle