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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-nitrobenzaldehyde

  • CAS No. 160538-51-2

  • Cat. No. CS-0063891
  • Purity≥96%
  • MDL No.MFCD00968940

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

3-Fluoro-4-nitrobenzaldehyde|CS-0063891

Structure of 160538-51-2

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General Information

  • CAS No. 160538-51-2
  • Cat. No. CS-0063891
  • Purity ≥96%
  • MDL No. MFCD00968940
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄FNO₃
  • Molecular Weight None
  • Synonym(s) uoro-4-nitrobenzenecarbaL
  • SMILES O=CC1=CC=C([N+]([O-])=O)C(F)=C1

Description

3-Fluoro-4-nitrobenzaldehyde features a fluorinated aromatic ring paired with electron-withdrawing nitro and aldehyde groups, enabling precise tuning of reactivity in cross-coupling and condensation reactions. This bench-stable compound integrates readily into complex molecular architectures under standard conditions.

Application

3-Fluoro-4-nitrobenzaldehyde serves as a versatile building block in medicinal chemistry and materials science, enabling direct functionalization at the aldehyde and nitro positions. Its electron-deficient aromatic core facilitates nucleophilic addition and transition-metal-catalyzed coupling reactions. The fluorine substituent enhances metabolic stability and modulates electronic properties, while the aldehyde group permits facile derivatization via reductive amination or imine formation. Bench-stable and compatible with standard purification methods, it functions effectively in multistep syntheses of heterocyclic scaffolds and bioactive molecules.

Synthesis

  • Route1
    • 3-Fluoro-N-methoxy-N-methyl-4-nitrobenzamide|CS-0151368
      863604-64-2
    • ~87%
    • In-stock
      3-Fluoro-4-nitrobenzaldehyde|CS-0063891
      160538-51-2

    References

    • BAYER PHARMACEUTICALS CORPORATION Patent: WO2005/121147 A1, 2005 ; Location in patent: Page/Page column 106 ;
  • Route2

    References

    • APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. Patent: WO2004/7491 A1, 2004 ; Location in patent: Page 65-66 ;
  • Route3

    References

    • Park; Cao; Joullie Journal of Organic Chemistry, 2001 , vol. 66, # 21 p. 7223 - 7226

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P301+P310-P302+P352-P304+P341-P312-P330-P363-P501

Quality Control

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Computational Chemistry Data

  • TPSA   60.21
  • LogP   1.5464
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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