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4,6-Dichloropyridazine-3-carbonitrile

  • CAS No. 35857-90-0

  • Cat. No. CS-0199524
  • Purity≥97%
  • MDL No.None

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

4,6-Dichloropyridazine-3-carbonitrile|CS-0199524

Structure of 35857-90-0

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General Information

  • CAS No. 35857-90-0
  • Cat. No. CS-0199524
  • Purity ≥97%
  • MDL No. None
  • 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) 4,6-Dichloro-3-pyridazinecarbonitrile
  • SMILES N#CC1=NN=C(Cl)C=C1Cl

Description

4,6-Dichloropyridazine-3-carbonitrile features a highly reactive pyridazine core with dual chlorine substituents flanking a nitrile group. This arrangement enables efficient coupling in cross-coupling reactions and facilitates incorporation into bioactive scaffolds. The molecule exhibits enhanced electrophilicity at the C4 and C6 positions, promoting selective functionalization under mild conditions.

Application

4,6-Dichloropyridazine-3-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of heterocyclic scaffolds via nucleophilic substitution. The dichloro functionality provides orthogonal reactivity for sequential functionalization, while the carbonitrile group offers compatibility with standard transformations such as amidation or reduction. Its bench-stable crystalline form facilitates handling and purification, making it well-suited for scalable synthesis and parallel library 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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