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CS-W001157 4
Total: USD 88.00

3-Nitro-5-(trifluoromethyl)benzoic acid

  • CAS No. 328-80-3

  • Cat. No. CS-W010331
  • Purity≥95%
  • MDL No.MFCD00024509

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

3-Nitro-5-(trifluoromethyl)benzoic acid|CS-W010331

Structure of 328-80-3

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General Information

  • CAS No. 328-80-3
  • Cat. No. CS-W010331
  • Purity ≥95%
  • MDL No. MFCD00024509
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃NO₄
  • Molecular Weight 235.12
  • Synonym(s) 3-nitro-5-(trifluoromethyl)benzoate
  • SMILES O=C(O)C1=CC(C(F)(F)F)=CC([N+]([O-])=O)=C1

Description

This trifluoromethyl-substituted benzoic acid features a nitro group at the meta position, delivering enhanced electron-withdrawing character. The combination of strong inductive effects from the trifluoromethyl and nitro groups imparts high acidity and stability under standard conditions. This compound serves as a key building block in medicinal chemistry and materials science, enabling efficient incorporation into bioactive scaffolds and functional polymers.

Application

3-Nitro-5-(trifluoromethyl)benzoic acid serves as a versatile building block for pharmaceutical and agrochemical synthesis, enabling direct incorporation of electron-withdrawing nitro and trifluoromethyl groups into aromatic scaffolds. Its bench-stable nature and compatibility with standard coupling reactions facilitate efficient derivatization, while the carboxylic acid group provides a handle for amide formation, esterification, or salt preparation in late-stage functionalization workflows.

Synthesis

  • Route1

    References

    • Shirai, Junya; Morimoto, Shinji; Sugiyama, Hideyuki; Sakauchi, Nobuki; Yoshikawa, Takeshi Patent: US2008/275085 A1, 2008 ; Location in patent: Page/Page column 45 ; US 20080275085 A1

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   80.44
  • LogP   2.3118
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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