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CS-W001157 4
Total: USD 88.00

5-Bromo-6-fluoro-1-methyl-1H-indazole

  • CAS No. 1185767-06-9

  • Cat. No. CS-0050577
  • Purity≥98%
  • MDL No.None

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

5-Bromo-6-fluoro-1-methyl-1H-indazole|CS-0050577

Structure of 1185767-06-9

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General Information

  • CAS No. 1185767-06-9
  • Cat. No. CS-0050577
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₆BrFN₂
  • Molecular Weight 229.05
  • Synonym(s) None
  • SMILES CN1N=CC2=C1C=C(F)C(Br)=C2

Description

5-Bromo-6-fluoro-1-methyl-1H-indazole features a sterically unhindered indazole core with complementary halogen substituents enabling direct functionalization. The methyl group at the nitrogen enhances solubility and metabolic stability, while the ortho-bromine and fluoro positions facilitate cross-coupling reactions under standard conditions. This compound serves as a key building block in medicinal chemistry for targeted drug discovery.

Application

5-Bromo-6-fluoro-1-methyl-1H-indazole serves as a versatile building block in medicinal chemistry, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal halogen reactivity. The bromo and fluoro substituents facilitate sequential functionalization, while the methyl group enhances metabolic stability. Its bench-stable solid form and compatibility with standard reaction conditions make it well-suited for iterative synthesis of complex heterocyclic scaffolds.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   17.82
  • LogP   2.4749
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   0

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