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

  • CAS No. 1211587-01-7

  • Cat. No. CS-0135801
  • Purity≥97%
  • MDL No.MFCD20659173

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

5-Chloropyridazine-3-carboxylic acid|CS-0135801

Structure of 1211587-01-7

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General Information

  • CAS No. 1211587-01-7
  • Cat. No. CS-0135801
  • Purity ≥97%
  • MDL No. MFCD20659173
  • 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) 3-Pyridazinecarboxylic acid, 5-chloro-
  • SMILES O=C(C1=NN=CC(Cl)=C1)O

Description

5-Chloropyridazine-3-carboxylic acid features a chlorine substituent at the 5-position and a carboxylic acid group at the 3-position of the pyridazine core, delivering enhanced electron-withdrawing character and improved solubility in polar solvents. This structural combination supports its use in medicinal chemistry scaffolds and heterocyclic synthesis under standard conditions.

Application

5-Chloropyridazine-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct functionalization at the C5 position via palladium-catalyzed cross-coupling reactions. The carboxylic acid group facilitates facile derivatization through amide formation or esterification, while the pyridazine core provides a rigid, electron-deficient heterocyclic scaffold suitable for targeted drug discovery. Its bench-stable crystalline form simplifies handling and purification in multi-step synthesis.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-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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