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1,3-Dibenzyl-1H-benzo[d]imidazol-3-ium chloride

  • CAS No. 36339-13-6

  • Cat. No. CS-0072543
  • Purity≥96%
  • MDL No.None

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

1,3-Dibenzyl-1H-benzo[d]imidazol-3-ium chloride|CS-0072543

Structure of 36339-13-6

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General Information

  • CAS No. 36339-13-6
  • Cat. No. CS-0072543
  • Purity ≥96%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₁H₁₉ClN₂
  • Molecular Weight 334.84
  • Synonym(s) None
  • SMILES N(C=[N+]1CC2=CC=CC=C2)(C3=CC=CC=C31)CC4=CC=CC=C4.[Cl-]

Description

This benzimidazolium salt features two benzyl groups at the 1,3-positions, enhancing solubility and stability in organic media. The chloride counterion ensures high purity and ease of handling. This cationic scaffold serves as a robust platform for catalytic applications and functional materials synthesis under standard conditions.

Application

1,3-Dibenzyl-1H-benzo[d]imidazol-3-ium chloride serves as a stable, bench-ready benzimidazolium salt that functions as a versatile building block in synthetic organic chemistry. Its well-defined cationic core enables efficient access to functionalized heterocycles and facilitates transition-metal-catalyzed transformations. The molecule exhibits excellent solubility in common organic solvents and demonstrates robust stability under standard handling conditions, making it ideal for use in catalytic systems, ligand development, and the construction of bioactive scaffolds.

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   8.81
  • LogP   1.0294
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   4

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