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CS-W001157 4
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4-Methyl-7-nitro-1H-indole

  • CAS No. 289483-80-3

  • Cat. No. CS-0144949
  • Purity≥95%
  • MDL No.MFCD07780760

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

4-Methyl-7-nitro-1H-indole|CS-0144949

Structure of 289483-80-3

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General Information

  • CAS No. 289483-80-3
  • Cat. No. CS-0144949
  • Purity ≥95%
  • MDL No. MFCD07780760
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈N₂O₂
  • Molecular Weight 176.17
  • Synonym(s) 1H-indole, 4-methyl-7-nitro-
  • SMILES O=[N+](C1=CC=C(C)C2=C1NC=C2)[O-]

Description

4-Methyl-7-nitro-1H-indole features a fused tricyclic core with a nitro group at the 7-position and a methyl substituent at the 4-position, imparting enhanced electron-withdrawing character and improved solubility. This scaffold serves as a key building block for bioactive heterocycles in medicinal chemistry and materials science.

Application

4-Methyl-7-nitro-1H-indole serves as a versatile building block for the synthesis of nitrogen-containing heterocycles and pharmaceutical intermediates. The nitro group at C7 enables selective reduction and subsequent functionalization, while the methyl substituent at C4 enhances regioselectivity in electrophilic substitution. Its bench-stable solid form facilitates handling and purification, making it well-suited for iterative synthetic workflows in medicinal chemistry and API development.

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   58.93
  • LogP   2.38452
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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