1,2-dimethyl-3-propyl-1H-imidazol-3-ium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane

• ChemBase ID: 143140
• Molecular Formular: C10H15F6N3O4S2
• Molecular Mass: 419.3642192
• Monoisotopic Mass: 419.0408173
• SMILES: CCC[n+]1ccn(c1C)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.CCC[n+]1ccn(c1C)C
• InChI: InChI=1S/C8H15N2.C2F6NO4S2/c1-4-5-10-7-6-9(3)8(10)2;3-1(4,5)14(10,11)9-15(12,13)2(6,7)8/h6-7H,4-5H2,1-3H3;/q+1;-1
• InChIKey: XOZHIVUWCICHSQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2-dimethyl-3-propyl-1H-imidazol-3-ium; trifluoro[(trifluoromethanesulfonylazanidyl)sulfonyl]methane
• IUPAC Traditional name: 2,3-dimethyl-1-propylimidazol-1-ium; bistriflylimide anion
• Synonyms: DMPIIm; 1,2-Dimethyl-3-propylimidazolium bis(trifluoromethylsulfonyl)imide; 1,2-二甲基-3-丙基咪唑双(三氟甲基磺酰)亚胺

Database IDs

• CAS Number: 169051-76-7
• MDL Number: MFCD03788922
• PubChem SID: 24873410; 162237362
• PubChem CID: 11750474

CALCULATED PROPERTIES

• Acid pKa: -0.54394513
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.0732763
• LogD (pH = 7.4): 3.0732765
• Log P: 2.1652188
• Molar Refractivity: 31.3346 cm^3
• Polarizability: 14.158181 Å^3
• Polar Surface Area: 77.51 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 15 °C(lit.)
• Flash Point: >110 °C; >230 °F
• Density: 1.436 g/mL at 25 °C
• Refractive Index: n20/D 1.433

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (HPLC)
• Impurities: <0.5% water
• Empirical Formula (Hill Notation): C10H15F6N3O4S2

DETAILS

Sigma Aldrich - 50807

Other Notes
Exremely hydrophobic ionic liquid. Thermal properties of imidazolium ionic liquids1; interfacial stability of Li in solvent-free ionic liquid2
Packaging
1 g in poly tube
5 g in poly bottle
Legal Information
Product protected by U.S. Patent 5,827,602 assigned to Covalent Associates, Inc. Woburn, Ma, USA
Physical form
Fluorinated, hydrophobic ionic liquid

Sigma Aldrich - 724416

Application
Dye sensitized solar cell, capacitor technology, polymer gel electrolytes, proton membranes, batteries1,2,3,4
Packaging
1 g in glass bottle
Protocols & Applications
Ionic Liquids for Energy Storage Applications