tris(butan-2-yl)borane

• ChemBase编号: 149271
• 分子式: C12H27B
• 平均质量: 182.15378
• 单一同位素质量: 182.22058126
• SMILES: B(C(C)CC)(C(C)CC)C(C)CC
• Canonical SMILES: CCC(B(C(CC)C)C(CC)C)C
• InChI: InChI=1S/C12H27B/c1-7-10(4)13(11(5)8-2)12(6)9-3/h10-12H,7-9H2,1-6H3
• InChIKey: YUPAWYWJNZDARM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(butan-2-yl)borane
• IUPAC传统名: tris(sec-butyl)borane
• 别名: 三仲丁基硼烷 溶液; Tris(1-methylpropyl)borane; Tri-sec-butylborane solution

登记号

• CAS号: 1113-78-6
• MDL号: MFCD00009325
• PubChem SID: 24850784; 162243439
• PubChem CID: 102559

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 5.9411
• LogD (pH = 7.4): 5.9411
• Log P: 5.9411
• 摩尔折射率: 56.8617 cm^3
• 极化性: 24.941988 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 闪点: 1 °F; -17 °C
• 密度: 0.799 g/mL at 25 °C

安全信息

• 欧盟危险性物质标志: 易燃性(Flammable) (F); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 1993
• 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: 11-19-22-36/37/38
• 安全公开号: 16-26-36/37/39
• RID/ADR: UN 1993 3/PG 2

产品相关信息

• 浓度: 1.0 M in THF
• 线性分子式: [C2H5CH(CH3)]3B

详细说明

Sigma Aldrich - 178969

包装
100 mL in Sure/Seal™
Application
Catalyst for:
• Allylic alkylations for synthesis of unsaturated aldehydes and alcohols1
• Cis-addition of carbon-hydrogen bonds of pyrroles and thiophenes to alkynes2
• Borane-induced radical reduction of alkenyl and alkynyliodanes3
• Initiating polymerization for synthesis of polymethylenes and ethylene-propylene4
• Asymmetric synthesis of vinylglycidols5
• Asymmetric addition of alcohols to vinyl epoxides6