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CS-W001157 4
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3-Fluoro-4-nitrophenol

  • CAS No. 394-41-2

  • Cat. No. CS-W007386
  • Purity≥95%
  • MDL No.MFCD00041251

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

3-Fluoro-4-nitrophenol|CS-W007386

Structure of 394-41-2

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General Information

  • CAS No. 394-41-2
  • Cat. No. CS-W007386
  • Purity ≥95%
  • MDL No. MFCD00041251
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₄FNO₃
  • Molecular Weight 157.10
  • Synonym(s) 3-fluoro-4-nitrophenolate
  • SMILES OC1=CC=C([N+]([O-])=O)C(F)=C1

Description

3-Fluoro-4-nitrophenol was used in solid phase synthesis of benzimidazoles and quinoxalin-2-ones. It was also used in the synthesis of 2-hydroxy-4-[(E,E)-3,7,11-trimethyldodeca-2,6,10-trien-1-yloxy]nitrobenzene.

Application

3-Fluoro-4-nitrophenol serves as a versatile building block in synthetic organic chemistry, enabling the construction of bioactive heterocycles and pharmaceutical intermediates. Its ortho-fluorine and para-nitro groups provide complementary reactivity for nucleophilic aromatic substitution and reduction sequences. The compound exhibits good bench stability and facilitates efficient functionalization under standard conditions, making it well-suited for iterative synthesis workflows in medicinal and process chemistry.

Synthesis

  • Route1

    References

    • Heterocycles, , vol. 34, # 12 p. 2301 - 2311
  • Route2

    References

    • WO2009/35407 A1, ; Page/Page column 8; 19-20 ;
  • Route3
    • null|null
      872618-18-3
    • ~%
    • In-stock
      3-Fluoro-4-nitrophenol|CS-W007386
      394-41-2

    References

    • Journal of the American Chemical Society, , vol. 131, # 37 p. 13415 - 13422

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   63.37
  • LogP   1.4395
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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