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CS-W001157 4
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6-Chloropyridazine-3-carboxylic acid

  • CAS No. 5096-73-1

  • Cat. No. CS-W004727
  • Purity≥97%
  • MDL No.MFCD00160464

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

6-Chloropyridazine-3-carboxylic acid|CS-W004727

Structure of 5096-73-1

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General Information

  • CAS No. 5096-73-1
  • Cat. No. CS-W004727
  • Purity ≥97%
  • MDL No. MFCD00160464
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₃ClN₂O₂
  • Molecular Weight 158.54
  • Synonym(s) Acide 6-chloropyridazine-3-carboxylique
  • SMILES ClC1=CC=C(N=N1)C(=O)O

Description

6-Chloropyridazine-3-carboxylic acid features a chlorine substituent at the 6-position and a carboxylic acid group at the 3-position of the pyridazine core. This electron-deficient heterocycle integrates readily into synthetic routes requiring halogenation or carboxylate functionalization, offering high stability under standard conditions and compatibility with diverse coupling reactions.

Application

6-Chloropyridazine-3-carboxylic acid serves as a versatile building block for heterocyclic synthesis, enabling efficient access to pyridazine-based scaffolds through nucleophilic substitution and coupling reactions. Its dual functional groups—chlorine at C6 and carboxylic acid at C3—offer orthogonal reactivity for late-stage derivatization. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for medicinal chemistry campaigns and API intermediate development.

Synthesis

  • Route1

    References

    • XENON PHARMACEUTICALS INC. Patent: US2008/207587 A1, 2008 ; Location in patent: Page/Page column 14 ; US 20080207587 A1
  • Route2

    References

    • XENON PHARMACEUTICALS INC. Patent: US2008/207587 A1, 2008 ; Location in patent: Page/Page column 15 ; US 20080207587 A1
  • Route3

    References

    • Homer et al. Journal of the Chemical Society, 1948 , p. 2191,2194

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   63.08
  • LogP   0.8282
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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