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6-Bromo-5-fluoro-1H-benzo[d][1,2,3]triazole

  • CAS No. 1242336-69-1

  • Cat. No. CS-0042097
  • Molecule weight216.01
  • Purity≥95%
  • MDL No.MFCD16660325

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

6-Bromo-5-fluoro-1H-benzo[d][1,2,3]triazole|CS-0042097

Structure of 1242336-69-1

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General Information

  • CAS No. 1242336-69-1
  • Cat. No. CS-0042097
  • Purity ≥95%
  • MDL No. MFCD16660325
  • Storage RT, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₃BrFN₃
  • Molecular Weight 216.01
  • Synonym(s) 5-Bromo-6-fluoro-1H-benzotriazole
  • SMILES FC1=C(Br)C=C(NN=N2)C2=C1

Description

6-Bromo-5-fluoro-1H-benzo[d][1,2,3]triazole is a halogenated triazole scaffold featuring complementary bromo and fluoro substituents at adjacent positions. This electron-deficient heterocycle enables efficient palladium-catalyzed cross-coupling reactions, serving as a key building block in medicinal chemistry and materials science. The molecule exhibits enhanced stability and solubility under standard reaction conditions.

Application

6-Bromo-5-fluoro-1H-benzo[d][1,2,3]triazole serves as a versatile building block for the synthesis of functionalized triazoles in medicinal chemistry and materials science. The bromo and fluoro substituents enable selective cross-coupling reactions, including palladium-catalyzed Suzuki and Stille couplings, while maintaining stability under standard reaction conditions. Its defined regiochemistry facilitates predictable transformations, making it ideal for constructing complex heterocyclic scaffolds with high reproducibility.

Safety Information

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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   41.57
  • LogP   1.8595
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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