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CS-W001157 4
Total: USD 88.00

2,4,6-Trichloronicotinonitrile

  • CAS No. 40381-91-7

  • Cat. No. CS-0146753
  • Purity≥98%
  • MDL No.MFCD19707185

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

2,4,6-Trichloronicotinonitrile|CS-0146753

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General Information

  • CAS No. 40381-91-7
  • Cat. No. CS-0146753
  • Purity ≥98%
  • MDL No. MFCD19707185
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆HCl₃N₂
  • Molecular Weight 207.44
  • Synonym(s) None
  • SMILES N#CC1=C(Cl)N=C(Cl)C=C1Cl

Description

2,4,6-Trichloronicotinonitrile features a highly electron-deficient pyridine core flanked by three chlorine substituents and a nitrile group, enabling robust coupling reactions in synthetic chemistry. This stable, bench-ready reagent integrates efficiently into heterocyclic frameworks under mild conditions.

Application

2,4,6-Trichloronicotinonitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient construction of heterocyclic scaffolds and functionalized pyridines. Its three chlorine substituents provide orthogonal reactivity for palladium-catalyzed cross-coupling, while the nitrile group facilitates nucleophilic transformations and downstream derivatization. The compound exhibits excellent bench stability and is readily purified by recrystallization, making it well-suited for scalable synthesis 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-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.91348
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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