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CS-W001157 4
Total: USD 88.00

4-Chloro-2-fluoro-5-nitrobenzoic acid

  • CAS No. 35112-05-1

  • Cat. No. CS-W003187
  • Purity≥98%
  • MDL No.MFCD04115725

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

4-Chloro-2-fluoro-5-nitrobenzoic acid|CS-W003187

Structure of 35112-05-1

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General Information

  • CAS No. 35112-05-1
  • Cat. No. CS-W003187
  • Purity ≥98%
  • MDL No. MFCD04115725
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃ClFNO₄
  • Molecular Weight 219.55
  • Synonym(s) 5-Carboxy-2-chloro-4-fluoronitrobenzene
  • SMILES [O-][N+](=O)c1cc(C(=O)O)c(cc1Cl)F

Description

4-Chloro-2-fluoro-5-nitrobenzoic acid features a trifunctional aromatic core with orthogonal reactivity. The carboxylic acid group enables direct coupling or derivatization, while the electron-deficient ring facilitates nucleophilic substitution. This scaffold offers enhanced stability and predictable regioselectivity in synthetic transformations.

Application

4-Chloro-2-fluoro-5-nitrobenzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling direct functionalization at the carboxylic acid and nitro groups. Its electron-withdrawing fluorine and chlorine substituents enhance reactivity in nucleophilic aromatic substitution and facilitate downstream coupling reactions. The compound exhibits good bench stability and is compatible with standard purification protocols, making it well-suited for use in multi-step syntheses of complex heterocyclic scaffolds and API intermediates.

Safety Information

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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   2.0855
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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