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CS-W001157 4
Total: USD 88.00

N2-Methyl-4-nitro-1,2-benzenediamine

  • CAS No. 95576-84-4

  • Cat. No. CS-0655169
  • Molecule weightNone
  • Purity≥96%
  • MDL No.MFCD09840986

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

N2-Methyl-4-nitro-1,2-benzenediamine|CS-0655169

Structure of 95576-84-4

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General Information

  • CAS No. 95576-84-4
  • Cat. No. CS-0655169
  • Purity ≥96%
  • MDL No. MFCD09840986
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₉N₃O₂
  • Molecular Weight None
  • Synonym(s) None
  • SMILES NC1=CC=C([N+]([O-])=O)C=C1NC

Description

N2-Methyl-4-nitro-1,2-benzenediamine features a methylated nitrogen adjacent to a nitro group on a benzenediamine scaffold, delivering enhanced electron deficiency and improved stability under standard conditions. This configuration supports selective coupling reactions in synthetic pathways requiring controlled reactivity. The compound serves as a key intermediate in the development of functionalized aromatic systems for pharmaceutical and materials applications.

Application

N2-Methyl-4-nitro-1,2-benzenediamine serves as a versatile building block in heterocyclic synthesis, enabling efficient access to substituted quinoline and benzimidazole scaffolds via cyclization reactions. The methylated amine group enhances solubility and stability compared to unsubstituted analogs, while the nitro functionality supports sequential transformations including reduction, coupling, and electrophilic substitution. Its bench-stable nature and compatibility with standard purification protocols make it well-suited for iterative synthetic workflows in medicinal chemistry and materials science.

Safety Information

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GHS Pictogram :
GHS No : GHS07,GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H312-H315-H318-H332-H335
Precautionary Statements : P260-P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P304+P341-P305+P351+P338-P310-P312-P330-P332+P313-P362+P364-P363-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   81.19
  • LogP   1.2187
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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