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CS-W001157 4
Total: USD 88.00

4-Bromo-5-nitro-1H-indole

  • CAS No. 1934562-99-8

  • Cat. No. CS-0102834
  • Molecule weight241.04
  • Purity≥97%
  • MDL No.None

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

4-Bromo-5-nitro-1H-indole|CS-0102834

Structure of 1934562-99-8

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General Information

  • CAS No. 1934562-99-8
  • Cat. No. CS-0102834
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅BrN₂O₂
  • Molecular Weight 241.04
  • Synonym(s) None
  • SMILES O=[N+](C1=C(Br)C2=C(NC=C2)C=C1)[O-]

Description

4-Bromo-5-nitro-1H-indole features a fused bicyclic indole core bearing bromine at C4 and a nitro group at C5, creating a highly electron-deficient heterocycle. This structural motif enables direct functionalization in cross-coupling reactions and serves as a key building block for bioactive molecules in medicinal chemistry and materials science.

Application

4-Bromo-5-nitro-1H-indole serves as a versatile building block for the synthesis of functionalized indole scaffolds. The bromo group enables palladium-catalyzed cross-coupling reactions, while the nitro group provides a handle for selective reduction and further derivatization. Its bench-stable nature and compatibility with standard synthetic protocols make it well-suited for medicinal chemistry campaigns and heterocycle construction.

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 : H315-H319
Precautionary Statements : P264-P280-P302+P352-P362

Quality Control

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Computational Chemistry Data

  • TPSA   58.93
  • LogP   2.8386
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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