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3-Hexadecyl-1-methyl-1H-imidazol-3-ium bromide

  • CAS No. 132361-22-9

  • Cat. No. CS-0152194
  • Purity≥97%
  • MDL No.MFCD19442853

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

3-Hexadecyl-1-methyl-1H-imidazol-3-ium bromide|CS-0152194

Structure of 132361-22-9

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General Information

  • CAS No. 132361-22-9
  • Cat. No. CS-0152194
  • Purity ≥97%
  • MDL No. MFCD19442853
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₃₉BrN₂
  • Molecular Weight 387.44
  • Synonym(s) 1-Hexadecyl-3-methylimidazolium Bromide
  • SMILES CN1C=C[N+](CCCCCCCCCCCCCCCC)=C1.[Br-]

Description

This imidazolium salt features a long alkyl chain that enhances hydrophobicity and facilitates phase-transfer behavior. The methyl and hexadecyl substituents create a polarizable, charge-stabilized cationic center, ideal for use in ionic liquids, catalytic systems, or surfactant applications requiring robust solubility and thermal stability under standard conditions.

Application

3-Hexadecyl-1-methyl-1H-imidazol-3-ium bromide serves as a stable, bench-ready imidazolium salt with long-chain alkyl substitution, enabling efficient access to functionalized ionic liquids and catalytic systems. Its dual hydrophobic/hydrophilic character facilitates phase-transfer applications and enhances solubility in organic media, while the imidazolium core supports nucleophilic substitution and metal-catalyzed transformations. The bromide counterion ensures compatibility with standard synthetic protocols and simplifies purification.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   8.81
  • LogP   2.7979
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   15

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