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CS-W001157 4
Total: USD 88.00

4-Bromo-6-(trifluoromethyl)-1H-indazole

  • CAS No. 1000342-95-9

  • Cat. No. CS-W005309
  • Purity≥98%
  • MDL No.MFCD09026956

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

4-Bromo-6-(trifluoromethyl)-1H-indazole|CS-W005309

Structure of 1000342-95-9

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General Information

  • CAS No. 1000342-95-9
  • Cat. No. CS-W005309
  • Purity ≥98%
  • MDL No. MFCD09026956
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄BrF₃N₂
  • Molecular Weight 265.03
  • Synonym(s) 6-(TRIFLUOROMETHYL)-4-BROMO INDAZOLE
  • SMILES FC(F)(F)C1=CC(Br)=C2C=NNC2=C1

Description

4-Bromo-6-(trifluoromethyl)-1H-indazole features a sterically hindered trifluoromethyl group and a bromine substituent at electron-deficient positions, enabling direct functionalization in cross-coupling reactions. This bench-stable heterocycle integrates readily into bioactive scaffolds requiring enhanced metabolic stability and lipophilic character.

Application

4-Bromo-6-(trifluoromethyl)-1H-indazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions for the construction of biologically relevant heterocyclic scaffolds. The bromo group facilitates efficient C–C bond formation, while the trifluoromethyl moiety enhances metabolic stability and modulates electronic properties. This compound exhibits excellent bench stability and compatibility with standard synthetic protocols, making it well-suited for iterative synthesis and library generation in drug discovery workflows.

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

Quality Control

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Computational Chemistry Data

  • TPSA   28.68
  • LogP   3.3442
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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