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CS-W001157 4
Total: USD 88.00

3,4-Difluoro-6-nitroaniline

  • CAS No. 78056-39-0

  • Cat. No. CS-W008348
  • Purity≥98%
  • MDL No.MFCD00010876

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

3,4-Difluoro-6-nitroaniline|CS-W008348

Structure of 78056-39-0

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General Information

  • CAS No. 78056-39-0
  • Cat. No. CS-W008348
  • Purity ≥98%
  • MDL No. MFCD00010876
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄F₂N₂O₂
  • Molecular Weight 174.10
  • Synonym(s) Benzenamine, 4,5-difluoro-2-nitro-
  • SMILES NC1=CC(F)=C(F)C=C1[N+]([O-])=O

Description

3,4-Difluoro-6-nitroaniline features a nitro group at the para position relative to an amino functionality, flanked by fluorine substituents that enhance electron withdrawal and metabolic stability. This combination imparts strong electrophilic character, enabling efficient coupling in C–N bond formation reactions. The molecule exhibits bench-stable behavior under standard conditions and integrates readily into advanced synthetic intermediates for pharmaceutical and agrochemical applications.

Application

3,4-Difluoro-6-nitroaniline serves as a valuable building block in medicinal chemistry and agrochemical synthesis, enabling direct incorporation of fluorinated arylamine motifs into complex scaffolds. Its reactivity profile supports nucleophilic substitution, palladium-catalyzed coupling, and reduction to the corresponding amine for further functionalization. The compound exhibits good bench stability and facilitates purification via standard crystallization or chromatographic methods, making it well-suited for iterative synthetic campaigns.

Synthesis

  • Route1

    References

    • SCIFLUOR LIFE SCIENCES, LLC; Duggan, Mark E.; Furuya, Takeru; Edwards, D. Scott; Purohit, Ajay Patent: US2013/287686 A1, 2013 ; Location in patent: Paragraph 0144; 0145 ;
  • Route2

    References

    • Leyva, Socorro; Castanedo, Victor; Leyva, Elisa Journal of Fluorine Chemistry, 2003 , vol. 121, # 2 p. 171 - 175
  • Route3
    • 4,5-Difluoro-2-nitrobenzamide|CS-0451119
      329939-78-8
    • ~%
    • In-stock
      3,4-Difluoro-6-nitroaniline|CS-W008348
      78056-39-0

    References

    • WO2005/123737 A2, ; Page/Page column 119 ;

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   1.4552
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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