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CS-W001157 4
Total: USD 88.00

2,5,6-Trichloro-1H-benzo[d]imidazole

  • CAS No. 16865-11-5

  • Cat. No. CS-W009196
  • Purity≥98%
  • MDL No.MFCD09835289

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

2,5,6-Trichloro-1H-benzo[d]imidazole|CS-W009196

Structure of 16865-11-5

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General Information

  • CAS No. 16865-11-5
  • Cat. No. CS-W009196
  • Purity ≥98%
  • MDL No. MFCD09835289
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃Cl₃N₂
  • Molecular Weight 221.47
  • Synonym(s) 2,5,6-Trichloro-1H-benzimidazole; 2,5,6-Trichlorobenzimidazole; NSC 143683; 2,5,6-trichloro-3aH-benzimidazole
  • SMILES ClC1=C(Cl)C=C2NC(Cl)=NC2=C1

Description

2,5,6-Trichloro-1H-benzo[d]imidazole features a rigid, electron-deficient heterocyclic core with three chlorine substituents positioned for optimal steric and electronic influence. This configuration enhances its utility in constructing complex nitrogen-containing scaffolds, particularly in medicinal chemistry and materials science applications requiring high stability and defined polarity.

Synthesis

  • Route1

    References

    • JANSSEN PHARMACEUTICA NV Patent: WO2009/134750 A1, 2009 ; Location in patent: Page/Page column 60 ;
  • Route2
    • In-stock
      1,2-Diamino-4,5-dichlorobenzene|CS-D1350
      5348-42-5
    • null|null
      530-62-1
    • ~%
    • In-stock
      2,5,6-Trichloro-1H-benzo[d]imidazole|CS-W009196
      16865-11-5

    References

    • US2005/54628 A1, ; Page/Page column 31 ; US 20050054628 A1
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 38, # 20 p. 4098 - 4105

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   28.68
  • LogP   3.5231
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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