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CS-W001157 4
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3-Chloro-6-trifluoromethyl-pyridazine

  • CAS No. 258506-68-2

  • Cat. No. CS-0001970
  • Purity≥97%
  • MDL No.MFCD08275188

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

3-Chloro-6-trifluoromethyl-pyridazine|CS-0001970

Structure of 258506-68-2

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General Information

  • CAS No. 258506-68-2
  • Cat. No. CS-0001970
  • Purity ≥97%
  • MDL No. MFCD08275188
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂ClF₃N₂
  • Molecular Weight 182.53
  • Synonym(s) 3-Chloro-6-(trifluoromethyl)pyridazine
  • SMILES FC(F)(F)C(N=N1)=CC=C1Cl

Description

3-Chloro-6-trifluoromethyl-pyridazine is a heterocyclic building block featuring a chlorine atom at the 3-position and a trifluoromethyl group at the 6-position, conferring enhanced electron-withdrawing character and metabolic stability. This combination enables efficient coupling in cross-coupling reactions and facilitates incorporation into bioactive scaffolds for pharmaceutical development.

Application

3-Chloro-6-trifluoromethylpyridazine serves as a versatile building block in medicinal chemistry, enabling efficient late-stage functionalization via cross-coupling reactions. Its electron-deficient pyridazine core exhibits enhanced stability and favorable reactivity in palladium-catalyzed transformations. The trifluoromethyl group imparts improved metabolic stability and lipophilicity, while the chlorine atom provides a reliable handle for nucleophilic substitution or transition metal-mediated coupling. This compound functions effectively in the synthesis of heterocyclic scaffolds relevant to agrochemicals and pharmaceutical intermediates.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H315-H319
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   2.1488
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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