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CS-W001157 4
Total: USD 88.00

4,5,6-Trichloropyrimidine

  • CAS No. 1780-27-4

  • Cat. No. CS-W017036
  • Purity≥95%
  • MDL No.MFCD08458457

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

4,5,6-Trichloropyrimidine|CS-W017036

Structure of 1780-27-4

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General Information

  • CAS No. 1780-27-4
  • Cat. No. CS-W017036
  • Purity ≥95%
  • MDL No. MFCD08458457
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄HCl₃N₂
  • Molecular Weight 183.42
  • Synonym(s) 4,5,6-Trichloro-1,3-diazine
  • SMILES C1=NC(=C(Cl)C(=N1)Cl)Cl

Description

4,5,6-Trichloropyrimidine is a highly reactive heterocyclic scaffold featuring three adjacent chlorine atoms that enable efficient nucleophilic substitution. This electron-deficient pyrimidine delivers rapid functionalization under mild conditions, making it ideal for constructing complex pharmaceutical intermediates and advanced materials through selective coupling reactions.

Application

4,5,6-Trichloropyrimidine serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient introduction of multiple electron-withdrawing chloro groups for downstream functionalization. Its high reactivity facilitates nucleophilic substitution under mild conditions, supporting the construction of complex heterocyclic scaffolds with excellent regiocontrol. Bench-stable and readily purified, it functions as a key intermediate in the development of pyrimidine-based APIs and functional materials.

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   2.4368
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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