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CS-W001157 4
Total: USD 88.00

3,6-Dichloropyridazine-4-carbonitrile

  • CAS No. 35857-93-3

  • Cat. No. CS-W018815
  • Purity≥97%
  • MDL No.MFCD16621820

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

3,6-Dichloropyridazine-4-carbonitrile|CS-W018815

Structure of 35857-93-3

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General Information

  • CAS No. 35857-93-3
  • Cat. No. CS-W018815
  • Purity ≥97%
  • MDL No. MFCD16621820
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅HCl₂N₃
  • Molecular Weight 173.99
  • Synonym(s) 3,6-Dichlor-4-pyridazin-carbonitril
  • SMILES N#CC1=CC(Cl)=NN=C1Cl

Description

3,6-Dichloropyridazine-4-carbonitrile features a highly reactive pyridazine core with dual chlorine substituents and a terminal nitrile group. This combination enables efficient coupling reactions in medicinal chemistry and materials synthesis, particularly under mild conditions. The molecule's electron-deficient heterocycle facilitates nucleophilic substitution, while the carbonitrile group serves as a handle for further functionalization. Bench-stable and moisture-tolerant, it streamlines access to complex heterocyclic architectures.

Application

3,6-Dichloropyridazine-4-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of heterocyclic scaffolds through nucleophilic substitution. The dichloro pattern provides orthogonal reactivity at C3 and C6 positions, while the nitrile group offers compatibility with standard transformations such as hydrolysis or reduction. Its bench-stable nature and predictable regioselectivity facilitate scalable synthesis and purification, making it well-suited for rapid library generation and process development.

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   49.57
  • LogP   1.65508
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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