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CS-W001157 4
Total: USD 88.00

2-(5-Bromo-1H-indol-3-yl)acetic acid

  • CAS No. 40432-84-6

  • Cat. No. CS-W008295
  • Purity≥97%
  • MDL No.MFCD00005637

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

2-(5-Bromo-1H-indol-3-yl)acetic acid|CS-W008295

Structure of 40432-84-6

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General Information

  • CAS No. 40432-84-6
  • Cat. No. CS-W008295
  • Purity ≥97%
  • MDL No. MFCD00005637
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₈BrNO₂
  • Molecular Weight 254.08
  • Synonym(s) 5-Bromo-3-indoleacetic acid
  • SMILES O=C(O)CC1=CNC2=C1C=C(Br)C=C2

Description

This indole-acetic acid derivative features a brominated indole moiety linked to a carboxylic acid group, offering enhanced electronic and steric properties for synthetic applications. The para-bromo substitution improves reactivity in coupling reactions, while the acidic functionality enables direct conjugation or derivatization. Stable under standard conditions, this compound serves as a key scaffold in medicinal chemistry and materials synthesis.

Synthesis

  • Route1
    • 2-(5-Bromo-1h-indol-3-yl)acetonitrile|CS-0671775
      774-14-1
    • ~95%
    • In-stock
      2-(5-Bromo-1H-indol-3-yl)acetic acid|CS-W008295
      40432-84-6

    References

    • Soto, Sara; Vaz, Esther; Dell'Aversana, Carmela; Alvarez, Rosana; Altucci, Lucia; De Lera, Angel R. Organic and Biomolecular Chemistry, 2012 , vol. 10, # 10 p. 2101 - 2112
  • Route2

    References

    • Zhu, Shaolin; MacMillan, David W. C. Journal of the American Chemical Society, 2012 , vol. 134, # 26 p. 10815 - 10818
  • Route3
    • 2-(5-Bromo-1H-indol-3-yl)-2-oxoacetic acid|CS-0316454
      156695-44-2
    • ~%
    • In-stock
      2-(5-Bromo-1H-indol-3-yl)acetic acid|CS-W008295
      40432-84-6

    References

    • Zhu, Shaolin; MacMillan, David W. C. Journal of the American Chemical Society, 2012 , vol. 134, # 26 p. 10815 - 10818

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   2.5575
  • H_Acceptors   1
  • H_Donors   2
  • Rotatable_Bonds   2

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