1,3-Dimethyl-1H-imidazol-3-ium methyl sulfate
[CAS# 97345-90-9]

Identification

• Classification: Chemical reagent >> Organic reagent >> Ionic liquid
• Name: 1,3-Dimethyl-1H-imidazol-3-ium methyl sulfate
• Synonyms: 1,3-dimethylimidazolium methylsulfate; 1,3-DIMETHYLIMIDAZOLIUMMETHYLSULFATE; 1-Methyl-3-methylimidazolium methylsulfate
• Molecular Formula: C₆H₁₂N₂O₄S
• CAS Registry Number: 97345-90-9
• SMILES: CN1C=C[N+](=C1)C.COS(=O)(=O)[O-]
• InChI: 1S/C5H9N2.CH4O4S/c1-6-3-4-7(2)5-6;1-5-6(2,3)4/h3-5H,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
• InChIKey: WOKQGMYCUGJNIJ-UHFFFAOYSA-M

References

• (1): Andrés García-Lorenzo, Emilia Tojo, José Tojo, Marta Teijeira, Francisco J. Rodríguez-Berrocal, Maykel Pérez González and Vicenta S. Martínez-Zorzano. Cytotoxicity of selected imidazolium-derived ionic liquids in the human Caco-2 cell line. Sub-structural toxicological interpretation through a QSAR study, Green Chem., 2008, 10, 508.