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CS-W001157 4
Total: USD 88.00

4-Fluoro-3-nitrobenzaldehyde

  • CAS No. 42564-51-2

  • Cat. No. CS-W008187
  • Purity≥97%
  • MDL No.MFCD01861388

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

4-Fluoro-3-nitrobenzaldehyde|CS-W008187

Structure of 42564-51-2

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General Information

  • CAS No. 42564-51-2
  • Cat. No. CS-W008187
  • Purity ≥97%
  • MDL No. MFCD01861388
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄FNO₃
  • Molecular Weight 169.11
  • Synonym(s) None
  • SMILES O=CC1=CC=C(F)C([N+]([O-])=O)=C1

Description

4-Fluoro-3-nitrobenzaldehyde features a fluorine atom at the para position and a nitro group at the meta position relative to the aldehyde, creating a strongly electron-deficient aromatic system. This combination enhances reactivity in nucleophilic addition and coupling reactions. The compound exhibits bench-stable handling characteristics and integrates readily into synthetic sequences requiring polarized carbonyl functionality.

Application

4-Fluoro-3-nitrobenzaldehyde serves as a versatile building block in medicinal chemistry and materials science, enabling direct incorporation of electron-withdrawing fluorine and nitro groups adjacent to an aldehyde functionality. Its reactivity facilitates nucleophilic additions, condensation reactions, and transition-metal-catalyzed couplings, while maintaining bench stability and compatibility with common protecting group strategies.

Synthesis

  • Route1
    • p-Fluorobenzenecarboxaldehyde Atorvastatin calcium|CS-0214005
      459-57-4
    • ~99%
    • In-stock
      4-Fluoro-3-nitrobenzaldehyde|CS-W008187
      42564-51-2

    References

    • Beugelmans; Zhu; Husson; Bois-Choussy; Singh Journal of the Chemical Society - Series Chemical Communications, 1994 , # 4 p. 439 - 440
  • Route2

    References

    • Bayer Aktiengesellschaft Patent: US4456772 A1, 1984 ;
  • Route3

    References

    • Kori, Masakuni; Miki, Takashi; Nishimoto, Tomoyuki; Tozawa, Ryuichi Patent: US2003/78251 A1, 2003 ;

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

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