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CS-W001157 4
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3,6-Dichloro-2-pyridinecarbonitrile

  • CAS No. 1702-18-7

  • Cat. No. CS-0059239
  • Purity≥98%
  • MDL No.MFCD00546824

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

3,6-Dichloro-2-pyridinecarbonitrile|CS-0059239

Structure of 1702-18-7

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General Information

  • CAS No. 1702-18-7
  • Cat. No. CS-0059239
  • Purity ≥98%
  • MDL No. MFCD00546824
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂Cl₂N₂
  • Molecular Weight 173.00
  • Synonym(s) 3,6-dichloropyridine-2-carbonitrile
  • SMILES N#CC1=NC(Cl)=CC=C1Cl

Description

3,6-Dichloro-2-pyridinecarbonitrile features a rigid pyridine core bearing two chlorine substituents at the 3 and 6 positions and a nitrile group at C2. This electron-deficient heterocycle integrates readily into cross-coupling reactions, serving as a key building block in agrochemical and pharmaceutical synthesis. The molecule exhibits enhanced stability under standard conditions and facilitates efficient functionalization via nucleophilic substitution or metal-mediated transformations.

Application

3,6-Dichloro-2-pyridinecarbonitrile serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient construction of functionalized pyridine scaffolds. Its dual halogen and nitrile groups facilitate palladium-catalyzed cross-coupling reactions and nucleophilic substitution pathways under mild conditions. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for scalable synthetic workflows.

Synthesis

  • Route1
    • null|null
      53976-62-8
    • ~55%
    • In-stock
      3,6-Dichloro-2-pyridinecarbonitrile|CS-0059239
      1702-18-7

    References

    • US6610853 B1, ;

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

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