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CS-W001157 4
Total: USD 88.00

2-Fluoro-3-nitrobenzaldehyde

  • CAS No. 96516-29-9

  • Cat. No. CS-W003540
  • Purity≥96%
  • MDL No.MFCD08669885

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

2-Fluoro-3-nitrobenzaldehyde|CS-W003540

Structure of 96516-29-9

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General Information

  • CAS No. 96516-29-9
  • Cat. No. CS-W003540
  • Purity ≥96%
  • MDL No. MFCD08669885
  • 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=Cc1cccc(c1F)[N+](=O)[O-]

Description

2-Fluoro-3-nitrobenzaldehyde features a fluorine atom at the ortho position and a nitro group at the meta position relative to the aldehyde, creating a highly electron-deficient aromatic ring. This combination enhances reactivity in nucleophilic addition and coupling reactions, particularly in pharmaceutical synthesis and materials science applications. The compound is bench-stable and compatible with standard reaction conditions.

Application

2-Fluoro-3-nitrobenzaldehyde serves as a versatile building block in medicinal chemistry and heterocyclic synthesis, enabling efficient access to substituted benzimidazoles, quinolines, and other nitrogen-containing scaffolds. Its ortho-fluoro and meta-nitro groups provide complementary reactivity for sequential functionalization, while the aldehyde moiety facilitates imine formation and nucleophilic additions. Bench-stable and compatible with standard purification methods, it functions reliably in multi-step syntheses requiring selective transformations.

Synthesis

  • Route1

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 40, # 8 p. 2049 - 2054
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 60, # 22 p. 7348 - 7350
  • Route3

    References

    • Chemical and Pharmaceutical Bulletin, , vol. 40, # 8 p. 2049 - 2054

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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