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CS-W001157 4
Total: USD 88.00

4-Fluoro-7-nitro-1H-indole

  • CAS No. 1167056-95-2

  • Cat. No. CS-0131033
  • Purity≥98%
  • MDL No.None

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

4-Fluoro-7-nitro-1H-indole|CS-0131033

Structure of 1167056-95-2

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General Information

  • CAS No. 1167056-95-2
  • Cat. No. CS-0131033
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅FN₂O₂
  • Molecular Weight 180.14
  • Synonym(s) 4-Fluoro-7-nitroind
  • SMILES O=[N+](C1=CC=C(F)C2=C1NC=C2)[O-]

Description

4-Fluoro-7-nitro-1H-indole features a strategically positioned fluorine atom and nitro group on the indole core, enabling enhanced electron deficiency for directed functionalization. This combination delivers high reactivity in cross-coupling and transition-metal-catalyzed transformations, particularly under mild conditions. The molecule exhibits excellent stability during handling and storage, making it well-suited for synthetic workflows requiring precise regiocontrol and predictable reaction outcomes.

Application

4-Fluoro-7-nitro-1H-indole serves as a versatile building block for the synthesis of functionalized indole scaffolds in medicinal chemistry and materials science. The ortho-fluoro and nitro substituents enable directed metalation and subsequent cross-coupling reactions, while maintaining bench stability and compatibility with standard purification protocols. This compound facilitates access to complex heterocyclic systems through sequential transformations, including nitro reduction and electrophilic substitution.

Safety Information

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GHS Pictogram :
GHS No : GHS08
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H341
Precautionary Statements : P280-P405-P501

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Computational Chemistry Data

  • TPSA   58.93
  • LogP   2.2152
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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