boranylidenetriethylamine

• ChemBase编号: 149039
• 分子式: C6H17BN
• 平均质量: 114.01688
• 单一同位素质量: 114.14540495
• SMILES: [BH2-][N+](CC)(CC)CC
• Canonical SMILES: CC[N+](CC)(CC)[BH2-]
• InChI: InChI=1S/C6H18BN/c1-4-8(7,5-2)6-3/h4-6H2,1-3,7H3
• InChIKey: ONRDAGWFOUZNLV-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: boranylidenetriethylamine
• IUPAC传统名: boranylidenetriethylamine
• 别名: 三乙胺硼烷; 硼烷三乙胺络合物; (N,N-Diethylethanamine)trihydroboron; NSC 59740; Triethylamine borane; Borane triethylamine complex

登记号

• CAS号: 1722-26-5
• EC号: 217-022-3
• MDL号: MFCD00012423
• PubChem SID: 162243208; 24850785
• PubChem CID: 10197661

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -3.6895742
• LogD (pH = 7.4): -3.6895742
• Log P: -3.6895742
• 摩尔折射率: 37.2359 cm^3
• 极化性: 15.6619215 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -4 °C(lit.); -4--2 °C
• 沸点: 97 °C/12 mmHg(lit.)
• 闪点: 19.4 °F; -7 °C
• 密度: 0.777 g/mL at 25 °C(lit.); 0.783 g/mL at 20 °C(lit.)
• 折射率: n20/D 1.442(lit.); n20/D 1.444

安全信息

• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 易燃性(Flammable) (F)
• 联合国危险货物编号: 2924
• 德国WGK号: 3
• 联合国危险货物等级: 3
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 11-20/21/22-34
• 安全公开号: 26-36/37/39-45
• GHS危险品标识: GHS02; GHS05; GHS07
• GHS警示词: Danger
• GHS危险声明: H225-H302 + H312 + H332-H314; H225-H302-H312-H314-H332
• GHS警示性声明: P210-P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2924 3/PG 2

产品相关信息

• 纯度: ≥90% (RT); 97%
• 级别: technical
• 线性分子式: (C2H5)3N · BH3

详细说明

Sigma Aldrich - 178977

包装
25, 100 g in glass bottle
Application
Used for:
• Ethanolysis of amine-borane adducts producing a reducing system1
• Photochemical hydroboration and oxidation of single-walled carbon nanotubes2Reactant for the synthesis of:
• Silylboranate3
• N-heterocyclic carbene borane complexes via Lewis base exchange with amine-boranes4
• Boron carbide nitride films via low-pressure CVD5
• (Pyridine)tripyrrolylboron6Reactant for modification of the radionuclide 211 At for astatination of biomolecules7

Sigma Aldrich - 15589

Other Notes
综述1