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CS-W001157 4
Total: USD 88.00

4-Chloro-6-iodopyrimidine

  • CAS No. 258506-74-0

  • Cat. No. CS-0041619
  • Molecule weight240.43
  • Purity≥96%
  • MDL No.MFCD12756222

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

4-Chloro-6-iodopyrimidine|CS-0041619

Structure of 258506-74-0

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General Information

  • CAS No. 258506-74-0
  • Cat. No. CS-0041619
  • Purity ≥96%
  • MDL No. MFCD12756222
  • Storage -20°C, sealed storage, away from moisture and light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₂ClIN₂
  • Molecular Weight 240.43
  • Synonym(s) None
  • SMILES IC1=CC(Cl)=NC=N1

Description

4-Chloro-6-iodopyrimidine is a halogenated pyrimidine scaffold enabling selective cross-coupling reactions. The ortho-halogen arrangement facilitates sequential functionalization, while the electron-deficient ring enhances reactivity in palladium-catalyzed transformations. This compound serves as a key intermediate for pharmaceutical and agrochemical development.

Application

4-Chloro-6-iodopyrimidine serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its complementary halogen reactivity. The chlorine and iodine substituents allow sequential functionalization under orthogonal conditions, facilitating the construction of complex pyrimidine-based scaffolds. Its bench-stable nature and compatibility with standard coupling protocols make it ideal for iterative synthesis of pharmaceutical intermediates and heterocyclic libraries.

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   25.78
  • LogP   1.7346
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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