tris(2,4,6-trimethylphenyl)borane

• ChemBase编号: 151522
• 分子式: C27H33B
• 平均质量: 368.36192
• 单一同位素质量: 368.26753146
• SMILES: B(c1c(cc(cc1C)C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Canonical SMILES: Cc1cc(C)cc(c1B(c1c(C)cc(cc1C)C)c1c(C)cc(cc1C)C)C
• InChI: InChI=1S/C27H33B/c1-16-10-19(4)25(20(5)11-16)28(26-21(6)12-17(2)13-22(26)7)27-23(8)14-18(3)15-24(27)9/h10-15H,1-9H3
• InChIKey: FXFWLXFJBVILBE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: tris(2,4,6-trimethylphenyl)borane
• IUPAC传统名: tris(2,4,6-trimethylphenyl)borane
• 别名: 三异丙叉丙酮基硼烷; NSC 149907; Tris(2,4,6-trimethylphenyl) borane; Trimesitylborane

登记号

• CAS号: 7297-95-2
• MDL号: MFCD00008539
• PubChem SID: 162245675; 24853482
• PubChem CID: 288633

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 10.1114
• LogD (pH = 7.4): 10.1114
• Log P: 10.1114
• 摩尔折射率: 121.7937 cm^3
• 极化性: 47.589104 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: false

分子性质

理化性质

• 熔点: 193-195 °C(lit.)

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• 保存温度: 2-8°C

产品相关信息

• 纯度: 97%
• 线性分子式: [2,4,6-(CH3)3C6H2]3B

详细说明

Sigma Aldrich - 225177

包装
1 g in glass bottle
Application
Reactant involved in:
• Synthesis of sandwich complex of trimesitylborane and fluoroborate and cyanoborate derivatives1
• Investigations of reactivity of aryldimesitylboranes under Suzuki-Miyaura coupling conditions2
• Laser desorption ionization mass spectrometry investigations3
• Studies of ion conductive characteristics of boron stabilized carbanions4