oxo[(oxoboranyl)oxy]borane

• ChemBase编号: 126215
• 分子式: B2H2O3
• 平均质量: 71.63608
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: oxo[(oxoboranyl)oxy]borane
• IUPAC传统名: boron oxide
• 别名: 三氧化二硼; 硼酐; Boron trioxide; Boric anhydride; boron oxide, diboron trioxide, boron sesquioxide, boric oxide, boria; Boric acid anhydride; Boron trioxide

登记号

• CAS号: 1303-86-2
• EC号: 215-125-8
• MDL号: MFCD00011315
• PubChem SID: 24847266; 24852124; 162220555; 24860609; 24849633
• PubChem CID: 518682
• CHEBI ID: 30163
• Chemspider ID: 452485
• 维基百科标题: Boron_trioxide

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 1.7684
• LogD (pH = 7.4): 1.7684
• Log P: 1.7684
• 摩尔折射率: 4.236 cm^3
• 极化性: 5.1885743 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: 22 g/L in water; partially soluble in methanol
• 外观: white, glassy solid
• 熔点: 450 °C (trigonal) ; 510 °C (tetrahedral); 450 °C(lit.)
• 沸点: 1860 °C, sublimates at 1500 °C
• 密度: 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
• 蒸汽密度: >1 (vs air)
• pKa: ~ 4

安全信息

• RTECS编号: ED7900000
• 欧盟危险性物质标志: 有毒(Toxic) (T)
• 德国WGK号: 1
• 危险公开号: 60-61
• 安全公开号: 53-45
• GHS危险品标识: GHS08
• GHS警示词: Danger
• NFPA704:
  

  0

  2

  1
• 半数致死量: 3150 mg/kg (oral, rat)
• GHS危险声明: H360FD
• GHS警示性声明: P201-P308 + P313
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (T); ≥98% (T); 99% (after heating); 99.98% trace metals basis; 99.999% trace metals basis
• 级别: puriss. p.a.; purum p.a.
• 杂质: <10% water and/or CO2(can be removed by heating at 250°C.)
• 痕量阳离子: 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
• 痕量阴离子: chloride (Cl-): ≤20 mg/kg; chloride (Cl-): ≤50 mg/kg; sulfate (SO42-): ≤50 mg/kg
• 干燥失重: ≤3% loss on ignition, 800 °C; ≤3% loss on ignition, 900 °C
• 品质说明: granulated
• Empirical Formula (Hill Notation): B2O3

详细说明

Sigma Aldrich - 202851

包装
5 g in poly bottle

Sigma Aldrich - 221740

包装
500 g in poly bottle

Sigma Aldrich - 15678

Other Notes
通过熔融作用分解硅酸盐的试剂1,2

Sigma Aldrich - 339075

包装
100, 500 g in poly bottle