4-[(4-hydroxy-1,3,2,4-dioxadiboretan-2-yl)oxy]-1,3,2,4-dioxadiboretan-2-ol diamine tetrahydrate

• ChemBase编号: 104110
• 分子式: B4H16N2O11
• 平均质量: 263.37784
• 单一同位素质量: 264.11263094
• SMILES: N.N.O.O.O.O.OB1OB(O1)OB1OB(O)O1
• Canonical SMILES: OB1OB(O1)OB1OB(O1)O.N.N.O.O.O.O
• InChI: InChI=1S/B4H2O7.2H3N.4H2O/c5-1-7-3(8-1)11-4-9-2(6)10-4;;;;;;/h5-6H;2*1H3;4*1H2
• InChIKey: QZNWNKFWDJRMLV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-[(4-hydroxy-1,3,2,4-dioxadiboretan-2-yl)oxy]-1,3,2,4-dioxadiboretan-2-ol diamine tetrahydrate
• IUPAC传统名: 4-[(4-hydroxy-1,3,2,4-dioxadiboretan-2-yl)oxy]-1,3,2,4-dioxadiboretan-2-ol diamine tetrahydrate
• 别名: Ammonium tetraborate 四水合物; 硼酸铵 四水合物; Ammonium tetraborate tetrahydrate; Ammonium biborate tetrahydrate; AMMONIUM BIBORATE

登记号

• CAS号: 12228-87-4
• EC号: 234-513-8
• MDL号: MFCD00149601
• PubChem SID: 24890853; 162090769
• PubChem CID: 44134537

理论计算性质

• Acid pKa: 8.34835
• 质子受体: 7
• 质子供体: 2
• LogD (pH = 5.5): 4.6829877
• LogD (pH = 7.4): 4.6363044
• Log P: 4.6836
• 摩尔折射率: 11.8802 cm^3
• 极化性: 12.187336 Å^3
• 极化表面积: 86.61 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

• pH值: ~8.8 ( in solution, over a wide range of concentrations)

安全信息

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

产品相关信息

• 纯度: 98.9-101.2% B2O3 basis; 99%
• 线性分子式: (NH4)2B4O7 · 4H2O

详细说明

MP Biomedicals - 02154774

Tetrahydrate Purity: 99% Solutions have a pH of approximately 8.8 over a wide range of concentrations.

Sigma Aldrich - A4380

包装
500 g in poly bottle