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CS-W001157 4
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1-Benzyl-3-methyl-1H-imidazol-3-ium chloride

  • CAS No. 36443-80-8

  • Cat. No. CS-0158155
  • Purity≥97%
  • MDL No.MFCD07784451

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

1-Benzyl-3-methyl-1H-imidazol-3-ium chloride|CS-0158155

Structure of 36443-80-8

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General Information

  • CAS No. 36443-80-8
  • Cat. No. CS-0158155
  • Purity ≥97%
  • MDL No. MFCD07784451
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃ClN₂
  • Molecular Weight 208.69
  • Synonym(s) 1-Benzyl-3-methylimidazolium chloride
  • SMILES C[N+]1=CN(C=C1)CC2=CC=CC=C2.[Cl-]

Description

This imidazolium salt features a benzyl group at the N1 position and a methyl substituent at N3, delivering enhanced stability and solubility in polar solvents. The chloride counterion ensures good ionic conductivity, making it well-suited for applications in catalysis and as a building block in ionic liquid design.

Application

1-Benzyl-3-methyl-1H-imidazol-3-ium chloride serves as a stable, bench-ready imidazolium salt that functions as a versatile building block in organic synthesis. Its well-defined cationic character enables efficient use in catalytic systems and heterocycle construction. The compound exhibits excellent functional group tolerance and facilitates straightforward purification, making it suitable for iterative synthetic workflows and the development of complex molecular architectures in medicinal chemistry and materials science applications.

Safety Information

Download SDS
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   -1.6351
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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