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CS-W001157 4
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6-Bromo-1H-indazole-3-carbonitrile

  • CAS No. 885278-24-0

  • Cat. No. CS-0037687
  • Purity≥97%
  • MDL No.None

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

6-Bromo-1H-indazole-3-carbonitrile|CS-0037687

Structure of 885278-24-0

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General Information

  • CAS No. 885278-24-0
  • Cat. No. CS-0037687
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄BrN₃
  • Molecular Weight 222.04
  • Synonym(s) None
  • SMILES C1=CC2=C(C=C1Br)NN=C2C#N

Description

6-Bromo-1H-indazole-3-carbonitrile features a bromine substituent at the 6-position and a nitrile group at the 3-position of the indazole core. This combination imparts enhanced reactivity for cross-coupling transformations and facilitates downstream functionalization in medicinal chemistry and materials synthesis. The molecule exhibits good stability under standard handling conditions.

Application

6-Bromo-1H-indazole-3-carbonitrile serves as a versatile building block for heterocyclic synthesis, enabling palladium-catalyzed cross-coupling reactions due to its orthogonal functionalization profile. The bromo and nitrile groups facilitate sequential transformations, supporting the construction of complex indazole-based scaffolds with high regiocontrol. Its bench-stable nature and compatibility with standard reaction conditions make it suitable for medicinal chemistry and process development workflows.

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   52.47
  • LogP   2.19708
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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