1-butyl-1-methylpyrrolidin-1-ium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane

• ChemBase编号: 144527
• 分子式: C11H20F6N2O4S2
• 平均质量: 422.4079192
• 单一同位素质量: 422.07686845
• SMILES: CCCC[N+]1(CCCC1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)(F)F.CCCC[N+]1(C)CCCC1
• InChI: InChI=1S/C9H20N.C2F6NO4S2/c1-3-4-7-10(2)8-5-6-9-10;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h3-9H2,1-2H3;/q+1;-1
• InChIKey: HSLXOARVFIWOQF-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-butyl-1-methylpyrrolidin-1-ium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane
• IUPAC传统名: 1-butyl-1-methylpyrrolidin-1-ium; bistriflylimide anion
• 别名: 1-丁基-1-甲基吡咯烷双(三氟甲磺酰)亚胺; 1-正丁基-1-甲基吡咯烷二(三氟甲基磺酰)酰亚胺; 1-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide; 1-n-Butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide

登记号

• CAS号: 223437-11-4
• MDL号: MFCD07784447
• PubChem SID: 24864253; 162238739; 24865663
• PubChem CID: 11048104

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: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 熔点: -18 °C
• 粘度: 548 stokes
• 电导率: 2.0 mS/cm

安全信息

• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 德国WGK号: 3
• 危险公开号: 36/37/38; 36/38
• 安全公开号: 26; 26-37
• TSCA收录: 否
• GHS危险品标识: GHS07
• GHS警示词: Warning
• GHS危险声明: H315-H319; H315-H319-H335
• GHS警示性声明: P261-P305 + P351 + P338; P280G-P305+P351+P338
• 个人保护装置: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

产品相关信息

• 纯度: ≥98.0% (T); ≥98.5% (T); 98%
• 级别: for electrochemistry
• 杂质: ≤0.2% water; ≤400 ppm water
• 痕量阴离子: bromide (Br-): ≤25 mg/kg; chloride (Cl-): ≤10 mg/kg; fluoride (F-): ≤10 mg/kg; nitrate (NO3-): ≤10 mg/kg; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤10 mg/kg
• electrochemical window: +2.4--3.0 V; -3.0-+2.4 V
• Empirical Formula (Hill Notation): C11H20F6N2O4S2

详细说明

Sigma Aldrich - 38894

包装
5, 50 g in glass bottle