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CS-W001157 4
Total: USD 88.00

5-Bromo-4-(trifluoromethyl)pyrimidine

  • CAS No. 785777-88-0

  • Cat. No. CS-W019328
  • Purity≥95%
  • MDL No.None

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

5-Bromo-4-(trifluoromethyl)pyrimidine|CS-W019328

Structure of 785777-88-0

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General Information

  • CAS No. 785777-88-0
  • Cat. No. CS-W019328
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂BrF₃N₂
  • Molecular Weight 226.98
  • Synonym(s) 5-bromo-4-trifluoromethylprimidine
  • SMILES FC(C1=NC=NC=C1Br)(F)F

Description

5-Bromo-4-(trifluoromethyl)pyrimidine is a halogenated pyrimidine scaffold featuring a trifluoromethyl group at the 4-position and a bromine atom at the 5-position. This electron-deficient heterocycle serves as a key building block in medicinal chemistry, enabling efficient coupling reactions for the synthesis of bioactive compounds. The trifluoromethyl moiety enhances metabolic stability and lipophilicity, while the bromine facilitates downstream functionalization via cross-coupling methodologies.

Application

5-Bromo-4-(trifluoromethyl)pyrimidine serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its electrophilic bromine and electron-withdrawing trifluoromethyl group. The molecule exhibits excellent bench stability, facilitates straightforward purification, and supports the construction of complex heterocyclic scaffolds common in pharmaceutical development.

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

Quality Control

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Computational Chemistry Data

  • TPSA   25.78
  • LogP   2.2579
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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