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CS-W001157 4
Total: USD 88.00

4,5-Difluoro-2-nitrobenzoic acid

  • CAS No. 20372-63-8

  • Cat. No. CS-W002689
  • Purity≥98%
  • MDL No.MFCD00799521

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

4,5-Difluoro-2-nitrobenzoic acid|CS-W002689

Structure of 20372-63-8

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General Information

  • CAS No. 20372-63-8
  • Cat. No. CS-W002689
  • Purity ≥98%
  • MDL No. MFCD00799521
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₂NO₄
  • Molecular Weight 203.10
  • Synonym(s) 4,5-two fluoro -2-Nitrobenzoic Acid
  • SMILES OC(=O)c1cc(F)c(cc1[N+](=O)[O-])F

Description

4,5-Difluoro-2-nitrobenzoic acid features a highly electron-deficient aromatic core enhanced by two fluorine substituents and a nitro group at the ortho position. This combination enables robust coupling reactions under mild conditions, while the carboxylic acid moiety facilitates direct derivatization. The molecule exhibits excellent stability and solubility in common organic solvents, making it ideal for synthetic intermediates in pharmaceutical and agrochemical development.

Application

4,5-Difluoro-2-nitrobenzoic acid serves as a versatile building block in medicinal chemistry, enabling direct incorporation of fluorinated aromatic motifs into bioactive scaffolds. Its dual electron-withdrawing nitro and carboxylic acid groups enhance electrophilicity for nucleophilic aromatic substitution and facilitate coupling reactions via standard amide bond formation. The difluoro substitution pattern improves metabolic stability and modulates electronic properties, while the compound exhibits sufficient bench stability for routine handling and purification.

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   1.5712
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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