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CS-W001157 4
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3-Bromo-1H-indole-6-carboxylic acid

  • CAS No. 219508-19-7

  • Cat. No. CS-0044446
  • Purity≥95%
  • MDL No.MFCD11109855

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

3-Bromo-1H-indole-6-carboxylic acid|CS-0044446

Structure of 219508-19-7

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General Information

  • CAS No. 219508-19-7
  • Cat. No. CS-0044446
  • Purity ≥95%
  • MDL No. MFCD11109855
  • Storage -20°C, sealed storage, away from moisture
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆BrNO₂
  • Molecular Weight 240.06
  • Synonym(s) 3-Bromoindole-6-carboxylic Acid
  • SMILES O=C(C1=CC2=C(C=C1)C(Br)=CN2)O

Description

3-Bromo-1H-indole-6-carboxylic acid features a bromine substituent at the 3-position and a carboxylic acid group at the 6-position of the indole core. This configuration imparts enhanced reactivity in cross-coupling processes and facilitates downstream derivatization. The molecule exhibits good stability under standard handling conditions and integrates readily into complex heterocyclic architectures.

Application

3-Bromo-1H-indole-6-carboxylic acid serves as a versatile building block for the synthesis of indole-based pharmaceuticals and agrochemicals. The bromo group enables palladium-catalyzed cross-coupling reactions, while the carboxylic acid facilitates amide formation, esterification, or direct derivatization. Its stability under standard reaction conditions and compatibility with diverse functional groups make it well-suited for iterative synthetic sequences in medicinal chemistry and process development.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

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Computational Chemistry Data

  • TPSA   53.09
  • LogP   2.6286
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   1

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