ammonium octahydrate oxoboranyl [(dioxotriboroxan-3-yl)oxy]boronate

• ChemBase编号: 104113
• 分子式: B5H23NO16
• 平均质量: 347.23472
• 单一同位素质量: 348.14821066
• SMILES: [NH4+].O.O.O.O.O.O.O.O.[O-]B(O[BH]=O)OB(O[BH]=O)O[BH]=O
• Canonical SMILES: O=[BH]OB(OB(O[BH]=O)O[BH]=O)[O-].[NH4+].O.O.O.O.O.O.O.O
• InChI: InChI=1S/B5O8.H3N.8H2O/c6-1-10-4(9)13-5(11-2-7)12-3-8;;;;;;;;;/h;1H3;8*1H2/q-1;;;;;;;;;/p+1
• InChIKey: SWZYLMFBBWMBLN-UHFFFAOYSA-O

名称和登记号

名称

• IUPAC标准名: ammonium octahydrate oxoboranyl [(dioxotriboroxan-3-yl)oxy]boronate; ammonium ({[(dioxotriboroxan-3-yl)oxy]borinato}oxy)(oxo)borane octahydrate
• IUPAC传统名: ammonium octahydrate oxoboranyl (dioxotriboroxan-3-yl)oxyboronate; ammonium {[(dioxotriboroxan-3-yl)oxyborinato]oxy}(oxo)borane octahydrate
• 别名: 五硼酸铵 八水合物; 八水合五硼酸铵; AMMONIUM PENTABORATE; Ammonium pentaborate octahydrate; Ammonium borate

登记号

• CAS号: 12007-89-5; 12046-03-6
• EC号: 234-521-1
• MDL号: MFCD00135839; MFCD00149331
• PubChem SID: 162092431
• PubChem CID: 44134539

理论计算性质

• Acid pKa: 8.493944
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 4.9939623
• LogD (pH = 7.4): 4.9609466
• Log P: 4.9944
• 摩尔折射率: 11.1724 cm^3
• 极化性: 13.600154 Å^3
• 极化表面积: 111.19 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Powder

安全信息

• 保存条件: Room Temperature (15-30°C)
• 欧盟危险性物质标志: X; 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 22-36/38; 36/37/38
• 安全公开号: 26-36
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS07
• GHS警示词: Warning
• GHS危险声明: H301-H315-H319; H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280-P301+P310-P305+P351+P338-P302+P352-P405-P501A
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves

产品相关信息

• 纯度: ≥99%; 99.0%
• 线性分子式: (NH4)2B10O16 · 8H2O

详细说明

MP Biomedicals - 02154777

Octahydrate pH of 1% solution = approx. 8.3.

Sigma Aldrich - A4505

包装
2.5 kg in poly drum
500 g in poly bottle