A quantum mechanical study of alkylimidazolium halide ionic liquids was written by Li, Wei;Qi, Chuansong;Rong, Hua;Wu, Xinmin;Gong, Liangfa. And the article was included in Chemical Physics Letters in 2012.Safety of 1-Methyl-3-propylimidazolium Chloride This article mentions the following:
Thirty imidazolium (IM) halide compounds were studied using DFT methods (B3LYP, B3P86, and PBE1PBE1) methods. Geometry optimization and interaction energy calculations were performed using the B3LYP/6-311++G(d,p) method for ions composed of one alkylimidazolium cation and two or three halogen anions. The obtained structures were consistent with exptl. results. In addition, a linear correlation between m.ps. and interaction energies was obtained for the compounds studied, and this relationship was consistent with that obtained for amino acid cation based ionic liquids In the experiment, the researchers used many compounds, for example, 1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8Safety of 1-Methyl-3-propylimidazolium Chloride).
1-Methyl-3-propylimidazolium Chloride (cas: 79917-89-8) belongs to imidazole derivatives. 1H-imidazole is an imidazole tautomer which has the migrating hydrogen at position 1. It is a conjugate base of an imidazolium cation. It is a conjugate acid of an imidazolide. It is a tautomer of a 4H-imidazole. Many drugs contain an imidazole ring, such as certain antifungal drugs, the nitroimidazole series of antibiotics, and the sedative midazolam.Safety of 1-Methyl-3-propylimidazolium Chloride
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem