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CS-W001157 4
Total: USD 88.00

5-Bromo-4,6-difluoropyrimidine

  • CAS No. 946681-88-5

  • Cat. No. CS-0091407
  • Molecule weight194.96
  • Purity≥97%
  • MDL No.MFCD08686978

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

5-Bromo-4,6-difluoropyrimidine|CS-0091407

Structure of 946681-88-5

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General Information

  • CAS No. 946681-88-5
  • Cat. No. CS-0091407
  • Purity ≥97%
  • MDL No. MFCD08686978
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄HBrF₂N₂
  • Molecular Weight 194.96
  • Synonym(s) None
  • SMILES FC1=C(Br)C(F)=NC=N1

Description

5-Bromo-4,6-difluoropyrimidine serves as a key heterocyclic building block in medicinal chemistry and agrochemical synthesis. The strategically positioned bromo and difluoro substituents enable efficient cross-coupling reactions and enhance metabolic stability. This electron-deficient pyrimidine core integrates readily into bioactive scaffolds under standard conditions.

Application

5-Bromo-4,6-difluoropyrimidine serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling site-selective functionalization via palladium-catalyzed cross-coupling. The bromo group facilitates Suzuki, Stille, and Negishi reactions, while the difluoro substitution enhances metabolic stability and modulates electronic properties. Its bench-stable crystalline form simplifies handling and purification, making it ideal for iterative library construction and process-scale applications.

Safety Information

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GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   1.5173
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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