1-ethyl-3-methyl-1H-imidazol-3-ium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane

• ChemBase编号: 140597
• 分子式: C8H11F6N3O4S2
• 平均质量: 391.3110592
• 单一同位素质量: 391.00951717
• SMILES: CCn1cc[n+](c1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• Canonical SMILES: O=S(=O)(C(F)(F)F)[N-]S(=O)(=O)C(F)(F)F.CCn1cc[n+](c1)C
• InChI: InChI=1S/C6H11N2.C2F6NO4S2/c1-3-8-5-4-7(2)6-8;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h4-6H,3H2,1-2H3;/q+1;-1
• InChIKey: LRESCJAINPKJTO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-ethyl-3-methyl-1H-imidazol-3-ium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane
• IUPAC传统名: 1-ethyl-3-methylimidazolium; bistriflylimide anion
• 别名: 1-乙基-3-甲基咪唑啉双(三氟甲基磺酰基)亚胺; Basionics® HP 01; EMIM BTI; EMIM TFSI; EMIMIm; 1-Ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

登记号

• CAS号: 174899-82-2
• MDL号: MFCD03788927
• PubChem SID: 24847118; 162234840
• PubChem CID: 11731903

理论计算性质

• Acid pKa: -0.54394513
• 质子受体: 5
• 质子供体: 0
• LogD (pH = 5.5): 3.0732763
• LogD (pH = 7.4): 3.0732765
• Log P: 2.1652188
• 摩尔折射率: 31.3346 cm^3
• 极化性: 14.158181 Å^3
• 极化表面积: 77.51 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

• 熔点: ≥-15 °C(lit.)
• 闪点: >200 °C; >392 °F

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)
• 德国WGK号: 2
• 危险公开号: 24/25-34-51/53
• 安全公开号: 26-36/37/39-45-61
• GHS危险品标识: GHS05; GHS06
• GHS警示词: Danger
• GHS危险声明: H301-H311-H314
• GHS警示性声明: P280-P301 + P310-P305 + P351 + P338-P310; P280-P305 + P351 + P338-P310
• 个人保护装置: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥97.0% (NMR); ≥98% (H-NMR)
• 级别: produced by BASF
• 杂质: <0.5% water; ≤0.5% water
• Empirical Formula (Hill Notation): C8H11F6N3O4S2

详细说明

Sigma Aldrich - 711691

General description
可能实行销售限制
法律信息
Basionics 注册商标 BASF SE
Protocols & Applications
Ionic Liquids for Energy Storage Applications

Sigma Aldrich - 11291

Other Notes
在离子液体中进行对映选择性反应1,2
包装
1 g in poly tube
5 g in poly bottle
Legal Information
产品受美国专利 5,827,602 保护，转让给 Covalent Associates, Inc. Woburn, Ma, USA
Physical form
疏水性氟化离子液体