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CS-W001157 4
Total: USD 88.00

4-Fluoro-3-nitrobenzamide

  • CAS No. 349-02-0

  • Cat. No. CS-0030389
  • Molecule weightNone
  • Purity≥97%
  • MDL No.MFCD11110229

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

4-Fluoro-3-nitrobenzamide|CS-0030389

Structure of 349-02-0

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General Information

  • CAS No. 349-02-0
  • Cat. No. CS-0030389
  • Purity ≥97%
  • MDL No. MFCD11110229
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₅FN₂O₃
  • Molecular Weight None
  • Synonym(s) 4-fluoro-3-nitrophenylformamide
  • SMILES O=C(N)C1=CC=C(F)C([N+]([O-])=O)=C1

Description

4-Fluoro-3-nitrobenzamide features a strategically positioned fluorine atom and nitro group on the benzene ring, enabling enhanced electron-withdrawing effects and directed functionalization. This combination supports efficient coupling reactions and facilitates incorporation into pharmaceutical scaffolds under standard conditions.

Application

4-Fluoro-3-nitrobenzamide serves as a versatile building block in medicinal chemistry, enabling direct functionalization via nucleophilic aromatic substitution due to the ortho-fluorine relative to the electron-withdrawing nitro group. Its stability under standard reaction conditions and compatibility with diverse coupling protocols facilitate efficient access to substituted benzamides and heterocyclic scaffolds relevant to API development.

Synthesis

  • Route1
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      400-94-2
    • ~67%
    • In-stock
      4-Fluoro-3-nitrobenzamide|CS-0030389
      349-02-0

    References

    • Dynamix Pharmaceuticals LTD. Patent: US2012/316148 A1, 2012 ; Location in patent: Page/Page column 202; 203 ; US 20120316148 A1
  • Route2

    References

    • ZHANG, Yan; Tounge, Brett Andrew; Wang, Aihua; Hawkins, Michael; Leonard, Kristi Anne; Barbay, Joseph Kent; Maharoof, Umar S.M. Patent: US2012/129843 A1, 2012 ; Location in patent: Page/Page column 31 ;
  • Route3
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      60-29-7
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      400-94-2
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      7664-41-7
    • ~%
    • In-stock
      4-Fluoro-3-nitrobenzamide|CS-0030389
      349-02-0

    References

    • Rouche Bulletin de la Classe des Sciences, Academie Royale de Belgique, 1921 , vol. <5> 7, p. 536 Chem. Zentralbl., 1922 , vol. 93, # I p. 22

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   86.23
  • LogP   0.8328
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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