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CS-W001157 4
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4-Chloro-1H-indole-3-carboxylic acid

  • CAS No. 23872-36-8

  • Cat. No. CS-W003419
  • Purity≥95%
  • MDL No.MFCD07776617

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

4-Chloro-1H-indole-3-carboxylic acid|CS-W003419

Structure of 23872-36-8

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General Information

  • CAS No. 23872-36-8
  • Cat. No. CS-W003419
  • Purity ≥95%
  • MDL No. MFCD07776617
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆ClNO₂
  • Molecular Weight 195.60
  • Synonym(s) 1H-indole-3-carboxylic acid, 4-chloro-
  • SMILES O=C(C1=CNC2=C1C(Cl)=CC=C2)O

Description

4-Chloro-1H-indole-3-carboxylic acid features a chlorine substituent at the 4-position of the indole core, enhancing electronic and metabolic stability. This bench-stable derivative integrates readily into pharmaceutical scaffolds, offering a polar, electron-deficient handle for coupling reactions and bioactive molecule design.

Application

4-Chloro-1H-indole-3-carboxylic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation into indole-based scaffolds common in kinase inhibitors and CNS-targeted compounds. The carboxylic acid group facilitates amide coupling, esterification, and metal-catalyzed transformations, while the 4-chloro substituent provides a handle for palladium-mediated cross-coupling reactions. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step syntheses requiring functional group compatibility and predictable reactivity.

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   53.09
  • LogP   2.5195
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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