oxo[(oxoboranyl)oxy]borane

• ChemBase ID: 126215
• Molecular Formular: B2H2O3
• Molecular Mass: 71.63608
• Monoisotopic Mass: 72.01900472
• SMILES: O=[BH]O[BH]=O
• Canonical SMILES: O=[BH]O[BH]=O
• InChI: InChI=1S/B2O3/c3-1-5-2-4
• InChIKey: JKWMSGQKBLHBQQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: oxo[(oxoboranyl)oxy]borane
• IUPAC Traditional name: boron oxide
• Synonyms: Boron trioxide; Boric anhydride; boron oxide, diboron trioxide, boron sesquioxide, boric oxide, boria; Boric acid anhydride; Boron trioxide; 三氧化二硼; 硼酐

Database IDs

• CAS Number: 1303-86-2
• EC Number: 215-125-8
• MDL Number: MFCD00011315
• PubChem SID: 162220555; 24847266; 24852124; 24860609; 24849633
• PubChem CID: 518682
• CHEBI ID: 30163
• Chemspider ID: 452485
• Wikipedia Title: Boron_trioxide

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.7684
• LogD (pH = 7.4): 1.7684
• Log P: 1.7684
• Molar Refractivity: 4.236 cm^3
• Polarizability: 5.1885743 Å^3
• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: 22 g/L in water; partially soluble in methanol
• Apperance: white, glassy solid
• Melting Point: 450 °C (trigonal) ; 510 °C (tetrahedral); 450 °C(lit.)
• Boiling Point: 1860 °C, sublimates at 1500 °C
• Density: 2.46 g/mL at 25 °C(lit.); 2.460 g/cm^3, liquid;; 2.55 g/cm^3, trigonal;; 3.11–3.146 g/cm^3, monoclinic
• Vapor Density: >1 (vs air)
• pKa: ~ 4

Safety Information

• RTECS: ED7900000
• 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

  2

  1
• LD50: 3150 mg/kg (oral, rat)
• GHS Hazard statements: H360FD
• GHS Precautionary statements: P201-P308 + P313
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (T); ≥98% (T); 99% (after heating); 99.98% trace metals basis; 99.999% trace metals basis
• Grade: puriss. p.a.; purum p.a.
• Impurities: <10% water and/or CO2(can be removed by heating at 250°C.)
• Cation Traces: Ag: ≤5 mg/kg; Al: ≤50 mg/kg; Ba: ≤5 mg/kg; Bi: ≤5 mg/kg; Ca: ≤10 mg/kg; Ca: ≤50 mg/kg; Cd: ≤5 mg/kg; Cd: ≤50 mg/kg; Co: ≤5 mg/kg; Co: ≤50 mg/kg; Cr: ≤5 mg/kg; Cu: ≤5 mg/kg; Cu: ≤50 mg/kg; Fe: ≤300 mg/kg; Fe: ≤5 mg/kg; Fe: ≤50 mg/kg; K: ≤100 mg/kg; K: ≤30 mg/kg; Mg: ≤20 mg/kg; Mn: ≤5 mg/kg; Mo: ≤5 mg/kg; Na: ≤200 mg/kg; Na: ≤2000 mg/kg; Ni: ≤5 mg/kg; Ni: ≤50 mg/kg; Pb: ≤30 mg/kg; Pb: ≤50 mg/kg; Sr: ≤5 mg/kg; Tl: ≤10 mg/kg; Zn: ≤5 mg/kg; Zn: ≤50 mg/kg
• Antion Traces: chloride (Cl-): ≤20 mg/kg; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Loss on Drying: ≤3% loss on ignition, 800 °C; ≤3% loss on ignition, 900 °C
• Quality: granulated
• Empirical Formula (Hill Notation): B2O3

DETAILS

Sigma Aldrich - 202851

Packaging
5 g in poly bottle

Sigma Aldrich - 221740

Packaging
500 g in poly bottle

Sigma Aldrich - 15678

Other Notes
Reagent for the decomposition of silicates by fusion1,2

Sigma Aldrich - 339075

Packaging
100, 500 g in poly bottle