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3-hexyl-1-methyl-1H-imidazol-3-ium hydrogen sulfate

  • CAS No. 478935-29-4

  • Cat. No. CS-0465620
  • Purity≥98%
  • MDL No.MFCD30183454

*For research and further manufacturing use only, not for direct human use.

3-hexyl-1-methyl-1H-imidazol-3-ium hydrogen sulfate|CS-0465620

Structure of 478935-29-4

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General Information

  • CAS No. 478935-29-4
  • Cat. No. CS-0465620
  • Purity ≥98%
  • MDL No. MFCD30183454
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₂₀N₂O₄S
  • Molecular Weight 264.34
  • Synonym(s) 1-Hexyl-3-MethyliMidazoliuM hydrosulfate
  • SMILES O=S(=O)([O-])O.C1=C[N+](=CN1C)CCCCCC

Description

This imidazolium salt features a hexyl chain that enhances solubility in organic media while the methyl group stabilizes the cationic center. The hydrogen sulfate anion provides high ionic conductivity and compatibility with electrochemical applications. A bench-stable, moisture-tolerant electrolyte precursor for advanced battery systems and catalytic reaction media.

Application

3-Hexyl-1-methyl-1H-imidazol-3-ium hydrogen sulfate serves as a stable, bench-friendly ionic liquid catalyst and reaction medium. It facilitates efficient functional group transformations, including nucleophilic substitutions and C–H activation processes, with excellent solubility for polar and nonpolar substrates. The imidazolium core enables strong electrostatic interactions, while the hydrogen sulfate counterion supports proton transfer in acid-catalyzed reactions. Its thermal stability and ease of purification make it suitable for scalable synthesis workflows.

Synthesis

  • Route1

    References

    • Arfan, Atef; Bazureau, Jean Pierre Organic Process Research and Development, 2005 , vol. 9, # 6 p. 743 - 748
  • Route2

    References

    • Chu, Xue-Qiang; Jiang, Ran; Fang, Yi; Gu, Zheng-Yang; Meng, Hua; Wang, Shun-Yi; Ji, Shun-Jun Tetrahedron, 2013 , vol. 69, # 3 p. 1166 - 1174
  • Route3
    • null|null
      111-25-1
    • ~%
    • In-stock
      3-hexyl-1-methyl-1H-imidazol-3-ium hydrogen sulfate|CS-0465620
      478935-29-4

    References

    • Chu, Xue-Qiang; Jiang, Ran; Fang, Yi; Gu, Zheng-Yang; Meng, Hua; Wang, Shun-Yi; Ji, Shun-Jun Tetrahedron, 2013 , vol. 69, # 3 p. 1166 - 1174

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1760
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   86.24
  • LogP   0.8975
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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