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

• ChemBase编号: 138140
• 分子式: C6H11BF4N2
• 平均质量: 197.9695528
• 单一同位素质量: 198.09514164
• SMILES: [B-](F)(F)(F)F.CCn1cc[n+](c1)C
• Canonical SMILES: F[B-](F)(F)F.CCn1cc[n+](c1)C
• InChI: InChI=1S/C6H11N2.BF4/c1-3-8-5-4-7(2)6-8;2-1(3,4)5/h4-6H,3H2,1-2H3;/q+1;-1
• InChIKey: CUNYTRQQXKCRTJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-ethyl-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide
• IUPAC传统名: 1-ethyl-3-methylimidazolium tetrafluoroborate
• 别名: 1-乙基-3-甲基咪唑 四氟硼酸盐; 1-乙基-3-甲基咪唑四氟硼酸盐; EMIMBF4; 1-Ethyl-3-methylimidazolium tetrafluoroborate; Basionics® EE 03

登记号

• CAS号: 143314-16-3
• EC号: 000-000-0
• MDL号: MFCD00216668
• PubChem SID: 24868356; 24864702; 24844952; 162232398; 24845728
• PubChem CID: 2769348

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -3.1130686
• LogD (pH = 7.4): -3.1130686
• Log P: -3.1130686
• 摩尔折射率: 33.6013 cm^3
• 极化性: 12.75589 Å^3
• 极化表面积: 8.81 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: 15 °C(lit.); 15°C
• 沸点: >350 °C(lit.)
• 闪点: 113 °C; 235.4 °F; None
• 密度: 1.280; 1.294 g/mL at 25 °C(lit.)
• 折射率: 1.4100; n20/D 1.41; n20/D 1.413(lit.)
• 电导率: ~11500 μS/cm

安全信息

• 保存注意事项: Hygroscopic
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 刺激性(Irritant) (Xi); 有害性(Harmful) (Xn)
• 德国WGK号: 3
• 危险公开号: 22-51/53; 36/38
• 安全公开号: 26-37; 61
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H302; H315-H319
• GHS警示性声明: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• 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/T); ≥98% (H-NMR); ≥98.5% (T); ≥99.0% (HPLC); 97%; 98+% (dry wt.), may cont. up to 3% water
• 级别: for catalysis; for electrochemistry; produced by BASF
• 杂质: ≤0.02% water; ≤0.5% water; ≤200 ppm water
• 痕量阴离子: bromide (Br-): ≤10 mg/kg; chloride (Cl-): ≤10 mg/kg; nitrate (NO3-): ≤10 mg/kg; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤10 mg/kg
• electrochemical window: -2.2-+3.5 V
• Empirical Formula (Hill Notation): C6H11BF4N2

详细说明

Sigma Aldrich - 39736

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

Sigma Aldrich - 447722

包装
5 mL in glass bottle

Sigma Aldrich - 711721

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 - 04365

Other Notes
对空气和水稳定的电解液（熔点为 15°C）1

参考文献

• Ionic liquid.
• Recycling of Os in the dihydroxylation of olefins with Osmium(VIII) oxide, 12103, can be accomplished by the use of this ionic liquid: Tetrahedron Lett., 43, 6849 (2002).