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CS-W001157 4
Total: USD 88.00

3,5-Dichloropyridine-2-carbonitrile

  • CAS No. 85331-33-5

  • Cat. No. CS-W003110
  • Purity≥98%
  • MDL No.MFCD03788758

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

3,5-Dichloropyridine-2-carbonitrile|CS-W003110

Structure of 85331-33-5

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General Information

  • CAS No. 85331-33-5
  • Cat. No. CS-W003110
  • Purity ≥98%
  • MDL No. MFCD03788758
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₂Cl₂N₂
  • Molecular Weight 173.00
  • Synonym(s) 3,5-Dichloropicolinonitrile
  • SMILES N#Cc1ncc(cc1Cl)Cl

Description

3,5-Dichloropyridine-2-carbonitrile features a pyridine core bearing two chlorine substituents at the 3 and 5 positions and a nitrile group at the 2 position. This electron-deficient heterocycle integrates readily into synthetic sequences requiring strong acceptor functionality. The molecule exhibits enhanced stability under standard bench conditions and serves as a key building block in medicinal chemistry and agrochemical synthesis.

Application

3,5-Dichloropyridine-2-carbonitrile serves as a versatile building block in medicinal chemistry, enabling efficient construction of heterocyclic scaffolds through nucleophilic substitution and transition-metal-catalyzed coupling reactions. Its dichloro-substituted pyridine core offers high reactivity at C3 and C5 positions, while the nitrile group provides orthogonal functionality for further derivatization. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis and API development workflows.

Synthesis

  • Route1
    • null|null
      15177-57-8
    • null|null
      7677-24-9
    • ~41%
    • In-stock
      3,5-Dichloropyridine-2-carbonitrile|CS-W003110
      85331-33-5

    References

    • Goldmann, Siegfried; Stoltefuss, Jurgen; Niewohner, Ulrich; Schlemmer, Karl-Heinz; Keldenich, Jorg; Paessens, Arnold; Graef, Erwin; Weber, Olaf; Deres, Karl Patent: US2003/232842 A1, 2003 ; Location in patent: Page 8 ;
  • Route2

    References

    • Goldmann, Siegfried; Stoltefuss, Jurgen; Niewohner, Ulrich; Schlemmer, Karl-Heinz; Keldenich, Jorg; Paessens, Arnold; Graef, Erwin; Weber, Olaf; Deres, Karl Patent: US2003/232842 A1, 2003 ; Location in patent: Page 8 ;
  • Route3
    • 3,5-Dichloropyridine Etoricoxib  Impurity|CS-0229442
      2457-47-8
    • ~%
    • In-stock
      3,5-Dichloropyridine-2-carbonitrile|CS-W003110
      85331-33-5

    References

    • US5716971 A1, ; US 5716971 A

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301+H311+H331-H315-H319-H335
Precautionary Statements : P264-P270-P330-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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