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CS-W001157 4
Total: USD 88.00

4,6-dichloronicotinonitrile

  • CAS No. 166526-03-0

  • Cat. No. CS-W000749
  • Purity≥98%
  • MDL No.MFCD08276124

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

4,6-dichloronicotinonitrile|CS-W000749

Structure of 166526-03-0

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General Information

  • CAS No. 166526-03-0
  • Cat. No. CS-W000749
  • Purity ≥98%
  • MDL No. MFCD08276124
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂Cl₂N₂
  • Molecular Weight 173.00
  • Synonym(s) 4,6-dichloropyridine-3-carbonitrile
  • SMILES Clc1cc(Cl)c(cn1)C#N

Description

4,6-Dichloronicotinonitrile features a highly reactive nitrile group flanked by two chlorine substituents at electron-deficient positions, enabling direct incorporation into heterocyclic scaffolds. This bench-stable compound serves as a key building block in the synthesis of functionalized pyridines and bioactive molecules.

Application

4,6-Dichloronicotinonitrile serves as a versatile building block in synthetic organic chemistry, enabling the construction of heterocyclic scaffolds via nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its dichloro and nitrile functionalities provide orthogonal reactivity for sequential functionalization, offering high stability under standard bench conditions and facilitating straightforward purification. This compound is widely employed in the synthesis of pharmaceutical intermediates and agrochemicals due to its predictable transformation profile and compatibility with diverse reaction systems.

Synthesis

  • Route1

    References

    • Journal of the American Chemical Society, , vol. 77, p. 5444
  • Route2

    References

    • Recueil des Travaux Chimiques des Pays-Bas, , vol. 69, p. 673,690
  • Route3

    References

    • Recueil des Travaux Chimiques des Pays-Bas, , vol. 69, p. 673,690

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-H319
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.26008
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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