trifluoroborane trimethyloxidanium fluoride

• ChemBase编号: 179240
• 分子式: C3H9BF4O
• 平均质量: 147.9075728
• 单一同位素质量: 148.06825819
• SMILES: [O+](C)(C)C.B(F)(F)F.[F-]
• Canonical SMILES: C[O+](C)C.FB(F)F.[F-]
• InChI: InChI=1S/C3H9O.BF3.FH/c1-4(2)3;2-1(3)4;/h1-3H3;;1H/q+1;;/p-1
• InChIKey: JDFKFXJJAIJXPP-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: trifluoroborane trimethyloxidanium fluoride
• IUPAC传统名: boron trifluoride trimethyloxidanium fluoride
• 别名: NSC 528455; Trimethyloxonium Fluoroborate; Trimethyloxonium Tetrafluoroborate(1-); Trimethyloxonium Tetrafluoroborate 90%

登记号

• CAS号: 420-37-1
• PubChem SID: 164235150
• PubChem CID: 71752833

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): -0.4385
• LogD (pH = 7.4): -0.4385
• Log P: -0.4385
• 摩尔折射率: 30.205 cm^3
• 极化性: 8.48287 Å^3
• 极化表面积: 13.59 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

详细说明

Toronto Research Chemicals - T796590

Trimethyloxonium Tetrafluoroborate is a trialkylated oxonium used as a methylation agent in organic synthesis.

参考文献

• Curphey, T.J. et al.: Org. Synth. 6, 1019 (1968)