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CS-W001157 4
Total: USD 88.00

3,4,6-Trichloropyridazine

  • CAS No. 6082-66-2

  • Cat. No. CS-W002701
  • Purity≥97%
  • MDL No.MFCD00834957

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

3,4,6-Trichloropyridazine|CS-W002701

Structure of 6082-66-2

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General Information

  • CAS No. 6082-66-2
  • Cat. No. CS-W002701
  • Purity ≥97%
  • MDL No. MFCD00834957
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄HCl₃N₂
  • Molecular Weight 183.42
  • Synonym(s) 6-Trichloropyridazine
  • SMILES ClC1=CC(Cl)=NN=C1Cl

Description

3,4,6-Trichloropyridazine is a highly functionalized heterocycle featuring three chlorine substituents at key positions on the pyridazine ring. This electron-deficient scaffold enables direct coupling in cross-coupling reactions and serves as a robust building block for pharmaceutical intermediates. The molecule exhibits enhanced stability under standard conditions, facilitating straightforward incorporation into complex molecular architectures.

Application

3,4,6-Trichloropyridazine serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of complex heterocyclic scaffolds. Its three chlorine substituents provide orthogonal reactivity for sequential cross-coupling or nucleophilic substitution reactions, facilitating the installation of diverse aryl, heteroaryl, and amine functionalities. The molecule exhibits good bench stability and is compatible with standard reaction conditions, making it well-suited for iterative synthetic strategies in API development.

Synthesis

  • Route1

    References

    • Institute of Pharmacology and Toxicology Academy of Military Medical Sciences P.L.A. China Patent: EP1900735 A1, 2008 ; Location in patent: Page/Page column 9 ;
  • Route2

    References

    • Kasnar; Wise; Kucera; Drach; Townsend Nucleosides and Nucleotides, 1994 , vol. 13, # 1-3 p. 459 - 479
  • Route3
    • 4-Chloro-1,2-dihydropyridazine-3,6-dione|CS-0157778
      5397-64-8
    • ~%
    • In-stock
      3,4,6-Trichloropyridazine|CS-W002701
      6082-66-2

    References

    • US2846433 , ; Journal of the American Chemical Society, , vol. 76, p. 2201

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   25.78
  • LogP   2.4368
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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