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CS-W001157 4
Total: USD 88.00

4,6-Dichloro-2-methylnicotinonitrile

  • CAS No. 1185190-81-1

  • Cat. No. CS-0227334
  • Purity≥98%
  • MDL No.None

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

4,6-Dichloro-2-methylnicotinonitrile|CS-0227334

Structure of 1185190-81-1

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General Information

  • CAS No. 1185190-81-1
  • Cat. No. CS-0227334
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄Cl₂N₂
  • Molecular Weight 187.03
  • Synonym(s) None
  • SMILES N#CC1=C(Cl)C=C(Cl)N=C1C

Description

4,6-Dichloro-2-methylnicotinonitrile features a sterically hindered pyridine core with electron-deficient chlorine substituents and a nitrile group at C-3. This configuration enables robust coupling in cross-coupling reactions and facilitates integration into pharmaceutical scaffolds requiring halogen handles for late-stage functionalization.

Application

4,6-Dichloro-2-methylnicotinonitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted pyridine scaffolds. Its dual chloro groups facilitate palladium-catalyzed cross-coupling reactions, while the nitrile and methyl functionalities offer orthogonal reactivity for downstream transformations. The compound exhibits excellent bench stability and facilitates straightforward purification, making it well-suited for iterative synthetic campaigns in medicinal chemistry 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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   2.5685
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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