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7-Bromo-5-nitro-1H-indazole

  • CAS No. 685109-10-8

  • Cat. No. CS-0041520
  • Purity≥95%
  • MDL No.MFCD03617603

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

7-Bromo-5-nitro-1H-indazole|CS-0041520

Structure of 685109-10-8

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General Information

  • CAS No. 685109-10-8
  • Cat. No. CS-0041520
  • Purity ≥95%
  • MDL No. MFCD03617603
  • Storage 4°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄BrN₃O₂
  • Molecular Weight 242.03
  • Synonym(s) None
  • SMILES [O-][N+](=O)C1=CC(Br)=C2NN=CC2=C1

Description

7-Bromo-5-nitro-1H-indazole features a fused bicyclic core bearing a bromine atom at the 7-position and a nitro group at the 5-position, enabling selective functionalization in cross-coupling and electrophilic substitution reactions. The electron-deficient indazole scaffold enhances reactivity in transition-metal-catalyzed processes.

Application

7-Bromo-5-nitro-1H-indazole serves as a versatile building block for the synthesis of biologically active heterocycles, enabling palladium-catalyzed cross-coupling reactions due to its well-established bromine reactivity. The nitro group provides a handle for selective reduction and subsequent functionalization, while the indazole core offers inherent stability and compatibility with diverse reaction conditions. This compound facilitates efficient access to complex scaffolds in medicinal chemistry campaigns.

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   71.82
  • LogP   2.2336
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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