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CS-W001157 4
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3-Bromo-1H-indazole-5-carboxylic acid

  • CAS No. 885521-49-3

  • Cat. No. CS-0045074
  • Purity≥98%
  • MDL No.MFCD07781587

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

3-Bromo-1H-indazole-5-carboxylic acid|CS-0045074

Structure of 885521-49-3

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General Information

  • CAS No. 885521-49-3
  • Cat. No. CS-0045074
  • Purity ≥98%
  • MDL No. MFCD07781587
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrN₂O₂
  • Molecular Weight 241.04
  • Synonym(s) 3-Bromo-5-(1H)indazole carbocylic acid
  • SMILES O=C(C1=CC2=C(NN=C2Br)C=C1)O

Description

3-Bromo-1H-indazole-5-carboxylic acid features a brominated indazole core with a carboxylic acid group at the 5-position, enabling direct conjugation in medicinal chemistry. The electron-deficient aromatic system enhances reactivity in transition-metal-catalyzed couplings, while the bench-stable functionality supports straightforward handling in synthetic workflows.

Application

3-Bromo-1H-indazole-5-carboxylic acid serves as a versatile building block for the synthesis of functionalized indazole scaffolds. The bromo group enables palladium-catalyzed cross-coupling reactions, while the carboxylic acid facilitates amide formation or derivatization. Its stability under standard reaction conditions and compatibility with diverse functional groups make it well-suited for medicinal chemistry campaigns and API intermediate 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

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Computational Chemistry Data

  • TPSA   65.98
  • LogP   2.0236
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   1

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