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CS-W001157 4
Total: USD 88.00

4-Bromo-6-(trifluoromethyl)pyrimidine

  • CAS No. 785777-89-1

  • Cat. No. CS-W019216
  • Purity≥97%
  • MDL No.MFCD10574962

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

4-Bromo-6-(trifluoromethyl)pyrimidine|CS-W019216

Structure of 785777-89-1

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General Information

  • CAS No. 785777-89-1
  • Cat. No. CS-W019216
  • Purity ≥97%
  • MDL No. MFCD10574962
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₂BrF₃N₂
  • Molecular Weight 226.98
  • Synonym(s) pyrimidine, 4-bromo-6-(trifluoromethyl)-
  • SMILES BrC1=NC=NC(=C1)C(F)(F)F

Description

4-Bromo-6-(trifluoromethyl)pyrimidine is a bench-stable, electron-deficient heterocycle featuring a bromine at the 4-position and a trifluoromethyl group at the 6-position. This combination enables direct functionalization in cross-coupling reactions and facilitates incorporation into bioactive molecules requiring enhanced metabolic stability and lipophilicity.

Application

4-Bromo-6-(trifluoromethyl)pyrimidine serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling palladium-catalyzed cross-coupling reactions with high efficiency. The bromo group facilitates Suzuki, Stille, and Negishi couplings, while the trifluoromethyl substituent enhances metabolic stability and modulates electronic properties. Its bench-stable nature and compatibility with diverse functional groups make it ideal for constructing complex heterocyclic scaffolds in API 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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