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CS-W001157 4
Total: USD 88.00

3-Chloro-5-(trifluoromethyl)pyridazine

  • CAS No. 845617-99-4

  • Cat. No. CS-0051410
  • Purity≥97%
  • MDL No.None

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

3-Chloro-5-(trifluoromethyl)pyridazine|CS-0051410

Structure of 845617-99-4

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General Information

  • CAS No. 845617-99-4
  • Cat. No. CS-0051410
  • Purity ≥97%
  • MDL No. None
  • 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-5-trifluoromethyl-pyridazine
  • SMILES FC(F)(F)C1=CN=NC(Cl)=C1

Description

3-Chloro-5-(trifluoromethyl)pyridazine is a fluorinated heterocyclic building block featuring a chloro group at the 3-position and a trifluoromethyl moiety at the 5-position. This electron-deficient pyridazine core enables selective coupling reactions in medicinal chemistry, particularly in the development of kinase inhibitors and agrochemicals. The molecule exhibits enhanced metabolic stability and lipophilicity, facilitating membrane permeability.

Application

3-Chloro-5-(trifluoromethyl)pyridazine serves as a versatile building block in medicinal chemistry, enabling efficient access to substituted pyridazine scaffolds via palladium-catalyzed cross-coupling reactions. The chlorine atom at the 3-position facilitates nucleophilic substitution, while the trifluoromethyl group enhances metabolic stability and modulates electronic properties. Its bench-stable nature and compatibility with diverse reaction conditions make it well-suited for iterative synthesis of bioactive molecules.

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   2.1488
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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