1-ethyl-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate

• ChemBase编号: 11925
• 分子式: C7H11F3N2O3S
• 平均质量: 260.2340496
• 单一同位素质量: 260.04424788
• SMILES: c1[n+](cn(c1)CC)C.[O-]S(=O)(=O)C(F)(F)F
• Canonical SMILES: [O-]S(=O)(=O)C(F)(F)F.CCn1cc[n+](c1)C
• InChI: InChI=1S/C6H11N2.CHF3O3S/c1-3-8-5-4-7(2)6-8;2-1(3,4)8(5,6)7/h4-6H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1
• InChIKey: ZPTRYWVRCNOTAS-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: 1-ethyl-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate
• IUPAC传统名: 1-ethyl-3-methylimidazolium triflate
• 别名: 1-乙基-3-甲基咪唑三氟甲磺酸盐; 1-乙基-3-甲基咪唑 三氟甲烷磺酸盐98+%; 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate; Basionics® VS 11; EMIM Otf; 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate; 1-Ethyl-3-methylimidazolium triflate

登记号

• CAS号: 145022-44-2
• EC号: 000-000-0
• MDL号: MFCD00210008
• PubChem SID: 24844946; 24885609; 24867314; 160975232; 24845729
• PubChem CID: 2758874

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: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: >350 °C(lit.)
• 闪点: 113 °C; 235.4 °F; None
• 密度: 1.387; 1.387 g/mL at 25 °C(lit.)
• 折射率: 1.4350; n20/D 1.434; n20/D 1.435; n20/D 1.435(lit.)

安全信息

• 保存注意事项: IRRITANT
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/38
• 安全公开号: 26-37
• TSCA收录: false; 否
• GHS危险品标识: GHS07
• GHS危险声明: 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, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

产品相关信息

• 纯度: ≥98% (H-NMR); ≥98.0% (T); ≥98.5% (T); ≥99.0% (T); 97%; 98+%
• 级别: for catalysis; for electrochemistry; produced by BASF
• 杂质: ≤0.1% water; ≤0.5% water; ≤1000 ppm water; ≤200 ppm water
• 痕量阴离子: bromide (Br-): ≤10 mg/kg; bromide (Br-): ≤5 mg/kg; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤5 mg/kg; fluoride (F-): ≤10 mg/kg; nitrate (NO3-): ≤10 mg/kg; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Empirical Formula (Hill Notation): C7H11F3N2O3S

详细说明

Sigma Aldrich - 711756

包装
1 kg in glass bottle
100 g in glass bottle
法律信息
Basionics 注册商标 BASF SE
Protocols & Applications
Ionic Liquids for Energy Storage Applications

Sigma Aldrich - 436941

Application
近来用于制备疏水性高导电环境温度熔盐，1以及用于制备双嵌入熔融电解质电池。2
包装
1, 5 mL in glass bottle

Sigma Aldrich - 04367

Other Notes
对空气和水均稳定的离子液体，可用于电化学用途（熔盐技术），所呈现的电化学稳定性窗口 ≥4V，并且在高达 350°C1 下仍稳定

参考文献

• Ionic liquid.