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CS-W001157 4
Total: USD 88.00

3-Fluoro-4-nitrobenzenecarboxylic acid

  • CAS No. 403-21-4

  • Cat. No. CS-D1499
  • Purity≥97%
  • MDL No.MFCD01862092

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

3-Fluoro-4-nitrobenzenecarboxylic acid|CS-D1499

Structure of 403-21-4

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General Information

  • CAS No. 403-21-4
  • Cat. No. CS-D1499
  • Purity ≥97%
  • MDL No. MFCD01862092
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄FNO₄
  • Molecular Weight 185.11
  • Synonym(s) 3-Fluoro-4-nitrobenzoic acid; 4-Nitro-3-fluorobenzoic acid; NSC 25749; 3-fluoro-4-nitrobenzoate
  • SMILES O=C(O)C1=CC=C([N+]([O-])=O)C(F)=C1

Description

3-Fluoro-4-nitrobenzenecarboxylic acid features a strategically positioned fluorine atom and nitro group on the aromatic ring, enabling selective functionalization in synthetic routes. This electron-deficient scaffold integrates readily into pharmaceutical intermediates and advanced materials, offering enhanced reactivity under standard conditions.

Application

3-Fluoro-4-nitrobenzoic acid serves as a versatile building block in medicinal chemistry and materials science, enabling the synthesis of functionalized heterocycles and conjugated systems. Its dual electron-withdrawing groups (nitro and carboxylic acid) enhance reactivity in nucleophilic aromatic substitution and coupling reactions. The fluorine substituent provides site-specific derivatization potential via selective displacement. This compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for scalable synthesis and downstream functionalization in API development workflows.

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

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   1.4321
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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