1-butyl-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide

• ChemBase编号: 140026
• 分子式: C8H15BF4N2
• 平均质量: 226.0227128
• 单一同位素质量: 226.12644177
• SMILES: [B-](F)(F)(F)F.CCCCn1cc[n+](c1)C
• Canonical SMILES: F[B-](F)(F)F.CCCCn1cc[n+](c1)C
• InChI: InChI=1S/C8H15N2.BF4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;/q+1;-1
• InChIKey: LSBXQLQATZTAPE-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-butyl-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide
• IUPAC传统名: 1-butyl-3-methylimidazolium tetrafluoroborate
• 别名: 1-正-丁基-3-甲基咪唑鎓 四氟硼酸盐; 1-丁基-3-甲基咪唑鎓四氟硼酸盐; 1-n-Butyl-3-methylimidazolium tetrafluoroborate; BMIMBF4; Basionics® EE 04; 1-Butyl-3-methylimidazolium tetrafluoroborate

登记号

• CAS号: 174501-65-6
• EC号: 000-000-0
• MDL号: MFCD03095449
• PubChem SID: 162234271; 24889490; 24864803
• PubChem CID: 2734178

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -2.1459775
• LogD (pH = 7.4): -2.1459775
• Log P: -2.1459775
• 摩尔折射率: 42.7263 cm^3
• 极化性: 16.443125 Å^3
• 极化表面积: 8.81 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

• 闪点: 288 °C; 550.4 °F; None
• 密度: 1.21 g/mL at 20 °C(lit.); 1.210
• 折射率: 1.4220; n20/D 1.52

安全信息

• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 25-36/38-51/53; 36/37/38
• 安全公开号: 26-37; 26-45-61
• TSCA收录: 否
• GHS危险品标识: GHS06; GHS07; GHS09
• GHS警示词: Danger
• GHS危险声明: H301-H315-H319-H411; H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P273-P301 + P310-P305 + P351 + P338
• 个人保护装置: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥97.0% (HPLC); ≥98%; ≥98.5% (HPLC); 98+%
• 级别: BASF quality; for catalysis
• 杂质: ≤0.05% water; ≤0.5% water
• 痕量阴离子: bromide (Br-): ≤25 mg/kg; chloride (Cl-): ≤25 mg/kg; nitrate (NO3-): ≤25 mg/kg; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤25 mg/kg
• Empirical Formula (Hill Notation): C8H15BF4N2

详细说明

Sigma Aldrich - 91508

Other Notes
离子液体，可用于很多反应，如氢化反应1；不对称氢化反应比均相氢化反应中的对映选择性更高2；以及用于室温下的 Suzuki 交叉偶联反应3
包装
5, 50, 250 g in glass bottle

Sigma Aldrich - 711748

General description
produced by Sigma-Aldrich, production and use of trademark licensed from BASF
包装
1 kg in glass bottle
100 g in glass bottle
法律信息
Basionics 注册商标 BASF SE

Sigma Aldrich - 39931

包装
5, 50 g in glass bottle
Application
Ionic Liquids for Catalysis

参考文献

• Ionic liquid.
• Effective medium for fluorination of alkyl halides with KF: J. Am. Chem. Soc., 124, 10278 (2002).
• The Suzuki coupling of arylboronic acids with aryl bromides gave improved yields with reduced catalyst concentrations (Tetrakis(triphenylphosphine)palladium(0), 10548) with this reaction medium: Chem. Commun., 1249 (2000). Acceleration of Suzuki coupling of polymer-supported 4-iodophenol with arylboronic acids has also been observed: Org. Lett., 4, 3071 (2002).