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CS-W001157 4
Total: USD 88.00

5-Fluoro-2-methyl-4-nitroaniline

  • CAS No. 633327-50-1

  • Cat. No. CS-0094704
  • Purity≥95%
  • MDL No.MFCD07368827

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

5-Fluoro-2-methyl-4-nitroaniline|CS-0094704

Structure of 633327-50-1

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General Information

  • CAS No. 633327-50-1
  • Cat. No. CS-0094704
  • Purity ≥95%
  • MDL No. MFCD07368827
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇FN₂O₂
  • Molecular Weight 170.14
  • Synonym(s) 633327-50-1
  • SMILES NC1=CC(F)=C([N+]([O-])=O)C=C1C

Description

5-Fluoro-2-methyl-4-nitroaniline features a trifunctional aromatic core with electron-withdrawing nitro and fluoro groups paired with an activating methyl substituent. This combination enables selective coupling reactions under mild conditions, making it valuable for synthesizing fluorinated heterocycles and pharmaceutical intermediates.

Application

5-Fluoro-2-methyl-4-nitroaniline serves as a versatile building block in medicinal chemistry, enabling efficient access to fluorinated heterocyclic scaffolds. Its nitro group facilitates subsequent reduction to the amine for Ullmann or Suzuki coupling, while the fluorine and methyl substituents offer orthogonal reactivity and metabolic stability. The compound exhibits excellent bench stability and ease of purification, making it well-suited for multi-step synthesis workflows in API development.

Synthesis

  • Route1
    • N-(5-fluoro-2-methyl-4-nitrophenyl)acetamide|CS-0454417
      633327-49-8
    • ~%
    • In-stock
      5-Fluoro-2-methyl-4-nitroaniline|CS-0094704
      633327-50-1

    References

    • EP1510516 A1, ; Page/Page column 101 ;

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

Quality Control

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Computational Chemistry Data

  • TPSA   69.16
  • LogP   1.62452
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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