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

  • CAS No. 65039-11-4

  • Cat. No. CS-0132685
  • Purity≥98%
  • MDL No.MFCD22375980

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

3-Benzyl-1-methyl-1H-imidazol-3-ium bromide|CS-0132685

Structure of 65039-11-4

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General Information

  • CAS No. 65039-11-4
  • Cat. No. CS-0132685
  • Purity ≥98%
  • MDL No. MFCD22375980
  • Storage Store at room temperature, keep dry and cool
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃BrN₂
  • Molecular Weight 253.14
  • Synonym(s) 1-Benzyl-3-methylimidazolium bromide
  • SMILES [Br-].C=1C=CC(=CC1)C[N+]=2C=CN(C2)C

Description

This imidazolium salt features a benzyl group at the 3-position and a methyl substituent at nitrogen, delivering enhanced solubility and stability in polar solvents. The bromide counterion ensures good ion mobility, making it effective as a catalytic co-catalyst or phase-transfer agent in organic synthesis.

Application

3-Benzyl-1-methyl-1H-imidazol-3-ium bromide serves as a stable, bench-ready imidazolium salt that facilitates nucleophilic substitution and C–H functionalization reactions. Its cationic structure enhances solubility in polar solvents and supports applications in organocatalysis and ionic liquid design. The benzyl and methyl substituents provide steric and electronic modulation, improving reaction selectivity and catalyst turnover in standard synthetic workflows.

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   -1.6351
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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