1,2-dimethyl-3-propyl-1H-imidazol-3-ium; ditrifluoromethanesulfonylmethanidesulfonyltrifluoromethane

• ChemBase编号: 152970
• 分子式: C12H15F9N2O6S3
• 平均质量: 550.4379288
• 单一同位素质量: 549.99485319
• SMILES: CCC[n+]1ccn(c1C)C.[C-](S(=O)(=O)C(F)(F)F)(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F
• Canonical SMILES: O=S(=O)(C(F)(F)F)[C-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CCC[n+]1ccn(c1C)C
• InChI: InChI=1S/C8H15N2.C4F9O6S3/c1-4-5-10-7-6-9(3)8(10)2;5-2(6,7)20(14,15)1(21(16,17)3(8,9)10)22(18,19)4(11,12)13/h6-7H,4-5H2,1-3H3;/q+1;-1
• InChIKey: LUWJQOLQUXTUGM-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1,2-dimethyl-3-propyl-1H-imidazol-3-ium; ditrifluoromethanesulfonylmethanidesulfonyltrifluoromethane
• IUPAC传统名: 2,3-dimethyl-1-propylimidazol-1-ium; ditrifluoromethanesulfonylmethanidesulfonyltrifluoromethane
• 别名: 1,2-二甲基-3-丙基咪唑三(三氟甲基磺酰)甲基化物; DMPIMe; 1,2-Dimethyl-3-propylimidazolium tris(trifluoromethylsulfonyl)methide

登记号

• CAS号: 169051-77-8
• MDL号: MFCD03788923
• PubChem SID: 24886676; 162247111
• PubChem CID: 16218491

理论计算性质

• 质子受体: 6
• 质子供体: 0
• LogD (pH = 5.5): 0.38224983
• LogD (pH = 7.4): 0.38224983
• Log P: 4.4505057
• 摩尔折射率: 46.7516 cm^3
• 极化性: 21.105703 Å^3
• 极化表面积: 102.42 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

安全信息

• 德国WGK号: 3
• 个人保护装置: Eyeshields, Gloves

产品相关信息

• 纯度: ≥97.0% (HPLC)
• 杂质: <0.5% water
• Empirical Formula (Hill Notation): C12H15F9N2O6S3

详细说明

Sigma Aldrich - 74305

Other Notes
无溶剂离子液体中锂的界面稳定性1
包装
1 g in poly tube
Legal Information
产品受美国专利 5,827,602 保护，该专利已转让给 Covalent Associates, Inc. Woburn, MA, USA
Physical form
疏水性氟化离子液体