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6-Fluoro-1H-indazole-3-carbaldehyde

  • CAS No. 518987-33-2

  • Cat. No. CS-0180892
  • Purity≥97%
  • MDL No.None

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

6-Fluoro-1H-indazole-3-carbaldehyde|CS-0180892

Structure of 518987-33-2

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General Information

  • CAS No. 518987-33-2
  • Cat. No. CS-0180892
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅FN₂O
  • Molecular Weight 164.14
  • Synonym(s) 6-FLUOROINDAZOLE-3-CARBOXYALDEHYDE
  • SMILES FC1=CC2=C(C(C=O)=NN2)C=C1

Description

6-Fluoro-1H-indazole-3-carbaldehyde features a fluorinated indazole core paired with an aldehyde handle, enabling direct integration into bioconjugation and medicinal chemistry campaigns. The electron-deficient aromatic system enhances reactivity in nucleophilic additions, while the bench-stable aldehyde group supports reliable coupling under standard conditions.

Application

6-Fluoro-1H-indazole-3-carbaldehyde serves as a versatile building block for the synthesis of bioactive heterocycles, leveraging its orthogonal reactivity at the aldehyde and fluorinated indazole core. The aldehyde group facilitates efficient coupling reactions, including Wittig, reductive amination, and Grignard additions, while the 6-fluorine substituent enables subsequent palladium-catalyzed cross-coupling or nucleophilic substitution. Its bench-stable nature and compatibility with diverse functional groups make it well-suited for medicinal chemistry campaigns and process-scale applications.

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

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Computational Chemistry Data

  • TPSA   45.75
  • LogP   1.5145
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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