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CS-W001157 4
Total: USD 88.00

4-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid

  • CAS No. 350488-79-8

  • Cat. No. CS-0060171
  • Purity≥97%
  • MDL No.None

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

4-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid|CS-0060171

Structure of 350488-79-8

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General Information

  • CAS No. 350488-79-8
  • Cat. No. CS-0060171
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₃ClF₃NO₄
  • Molecular Weight 269.56
  • Synonym(s) 4-chloro-5-nitro -3-trifluoroMethyl benzoic acid
  • SMILES C1=C(C=C(C(=C1C(F)(F)F)Cl)[N+](=O)[O-])C(=O)O

Description

This trifluoromethyl-substituted benzoic acid features a chlorine atom at the 4-position and a nitro group at the 3-position, delivering enhanced electron-withdrawing character. The combination of strong inductive effects from the trifluoromethyl and nitro groups imparts high reactivity in coupling reactions, particularly in pharmaceutical synthesis where halogenation and functional group compatibility are critical.

Application

4-Chloro-3-nitro-5-(trifluoromethyl)benzoic acid serves as a versatile building block for the synthesis of biologically active heterocycles and pharmaceutical intermediates. Its trifluoromethyl, nitro, and chloro substituents enable diverse functional group transformations, including nucleophilic aromatic substitution and palladium-catalyzed coupling reactions. The carboxylic acid group facilitates direct derivatization or salt formation, enhancing solubility and stability in synthetic workflows.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   80.44
  • LogP   2.9652
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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