tetraethylazanium boranuide

• ChemBase编号: 152267
• 分子式: C8H23BN
• 平均质量: 144.08592
• 单一同位素质量: 144.19235514
• SMILES: [BH3-].CC[N+](CC)(CC)CC
• Canonical SMILES: CC[N+](CC)(CC)CC.[BH3-]
• InChI: InChI=1S/C8H20N.BH4/c1-5-9(6-2,7-3)8-4;/h5-8H2,1-4H3;1H4/q+1;-1
• InChIKey: JFXPWTFDWBWOAZ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tetraethylazanium boranuide
• IUPAC传统名: tetraethylammonium boranuide
• 别名: 四乙基硼氢化铵; NSC 164898; NSC 76086; TEAB; Tetraethylammonium tetrahydroborate; Tetraethylammonium borohydride; Tetraethylammonium tetrahydridoborate

登记号

• CAS号: 17083-85-1
• EC号: 241-140-4
• MDL号: MFCD00031600
• Beilstein号: 3693695
• PubChem SID: 162246412; 24888699
• PubChem CID: 6328190

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -2.5449352
• LogD (pH = 7.4): -2.5449352
• Log P: -2.5449352
• 摩尔折射率: 54.8961 cm^3
• 极化性: 16.958946 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Powder
• 熔点: >230 °C; ca 225°C dec.
• 密度: 0.926

安全信息

• 保存注意事项: Moisture Sensitive
• RTECS编号: BS5850000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F); X; 刺激性(Irritant) (Xi)
• 联合国危险货物编号: 3134; UN3131
• 德国WGK号: 3
• 联合国危险货物等级: 4.3
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 15-22-34; 15-36/37/38
• 安全公开号: 26-36; 7/8-26-36/37/39-43-45
• TSCA收录: 是
• GHS危险品标识: GHS02; GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H261-H314-H318-H302; H261-H315-H319-H335
• GHS警示性声明: P231 + P232-P261-P305 + P351 + P338-P422; P280-P303+P361+P353-P305+P351+P338-P310-P370+P378I-P402+P404
• 个人保护装置: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3134 4.3/PG 2

产品相关信息

• 纯度: ≥95% (T)
• 级别: technical
• 线性分子式: (C2H5)4N(BH4)

详细说明

Sigma Aldrich - 86600

包装
5 g in glass bottle
Application

• Reducing agent for the preparation of hydroxybaccatin III carbonate derivatives1
• Reductant for the preparation of edge-bridged all-ferrous double cubane2
• Reducing agent for the reduction of heterometal cubane iron/molybdenum cluster trigonally symmetrized with hydrotris(pyrazolyl)borate capping ligand3
• Reactant for reactions with ruthenium phenanthroline carbonyl complexes yielding formyl complexes4