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CS-W001157 4
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1-(2-Chloroethyl)-1H-imidazole hydrochloride

  • CAS No. 18994-78-0

  • Cat. No. CS-W021201
  • Purity≥95%
  • MDL No.MFCD00799332

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

1-(2-Chloroethyl)-1H-imidazole hydrochloride|CS-W021201

Structure of 18994-78-0

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General Information

  • CAS No. 18994-78-0
  • Cat. No. CS-W021201
  • Purity ≥95%
  • MDL No. MFCD00799332
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₈Cl₂N₂
  • Molecular Weight 167.04
  • Synonym(s) N-(2-Chloroethyl)-Imidazole Hydrochloride
  • SMILES Cl.ClCCN1C=CN=C1

Description

1-(2-Chloroethyl)-1H-imidazole hydrochloride is a reactive alkylating agent featuring a chloroethyl chain poised for nucleophilic substitution. The imidazole core provides enhanced solubility and stability, enabling efficient conjugation in bioconjugation workflows. This bench-stable derivative facilitates site-specific labeling under mild conditions.

Application

1-(2-Chloroethyl)-1H-imidazole hydrochloride serves as a versatile electrophilic alkylating agent, enabling efficient introduction of imidazolylmethyl groups into diverse substrates. Its bench-stable crystalline form facilitates handling and purification, while the chloride leaving group supports high-yielding reactions with nucleophiles including amines, thiols, and enolates. Functions effectively in the synthesis of imidazole-containing building blocks for medicinal chemistry and functional materials.

Synthesis

  • Route1

    References

    • Burdeinyi; Popkov; Kharchevnikova Russian Chemical Bulletin, 2009 , vol. 58, # 5 p. 936 - 939

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

Quality Control

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Computational Chemistry Data

  • TPSA   17.82
  • LogP   1.5437
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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