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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 61546-01-8

  • Cat. No. CS-0378407
  • Purity≥98%
  • MDL No.None

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

3-Hexadecyl-1-methyl-1H-imidazol-3-ium Chloride|CS-0378407

Structure of 61546-01-8

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General Information

  • CAS No. 61546-01-8
  • Cat. No. CS-0378407
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₃₉ClN₂
  • Molecular Weight 342.99
  • Synonym(s) 1-Hexadecyl-3-methylimidazolium chloride
  • SMILES CN1C=[N+](CCCCCCCCCCCCCCCC)C=C1.[Cl-]

Description

This imidazolium salt features a long alkyl chain that enhances solubility in nonpolar media while maintaining ionic character. The methyl and hexadecyl substituents create a balanced hydrophobic-hydrophilic profile, enabling use in phase-transfer catalysis and as a stabilizing agent in biphasic systems.

Application

3-Hexadecyl-1-methyl-1H-imidazol-3-ium chloride serves as a stable, bench-friendly ionic liquid precursor with enhanced solubility in organic media. Its long alkyl chain imparts favorable phase behavior and interfacial properties, enabling use in catalytic systems and as a tunable reaction medium. Functions effectively as a phase-transfer catalyst or co-catalyst in C–C and C–N bond-forming reactions, offering good functional group tolerance and ease of product isolation.

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-P330-P362+P364-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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