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CS-W001157 4
Total: USD 88.00

3-Methyl-2-nitroaniline

  • CAS No. 601-87-6

  • Cat. No. CS-W021963
  • Purity≥97%
  • MDL No.MFCD00074851

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

3-Methyl-2-nitroaniline|CS-W021963

Structure of 601-87-6

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General Information

  • CAS No. 601-87-6
  • Cat. No. CS-W021963
  • Purity ≥97%
  • MDL No. MFCD00074851
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈N₂O₂
  • Molecular Weight None
  • Synonym(s) 3-Methyl-2-nitrobenzenamine
  • SMILES C1=CC=C(C(=C1C)[N+](=O)[O-])N

Description

3-Methyl-2-nitroaniline features a para-nitro group and methyl substituent on the aromatic ring, delivering enhanced electron-withdrawing character and improved solubility in organic solvents. This configuration supports efficient coupling reactions and facilitates use in synthetic intermediates for dyes, pharmaceuticals, and agrochemicals under standard conditions.

Application

3-Methyl-2-nitroaniline serves as a key intermediate in the synthesis of pharmaceuticals and agrochemicals, offering a versatile scaffold for further functionalization. The ortho-nitro and methyl groups enable selective transformations, including reduction to aniline derivatives, electrophilic substitution, and coupling reactions. Its bench-stable nature and compatibility with common reaction conditions make it well-suited for multi-step synthetic sequences in medicinal chemistry and process 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   69.16
  • LogP   1.48542
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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