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CS-W001157 4
Total: USD 88.00

2-Nitro-4-(trifluoromethyl)benzoic acid

  • CAS No. 320-94-5

  • Cat. No. CS-W014160
  • Purity≥98%
  • MDL No.MFCD00007142

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

2-Nitro-4-(trifluoromethyl)benzoic acid|CS-W014160

Structure of 320-94-5

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General Information

  • CAS No. 320-94-5
  • Cat. No. CS-W014160
  • Purity ≥98%
  • MDL No. MFCD00007142
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₄F₃NO₄
  • Molecular Weight 235.12
  • Synonym(s) 2-Nitro-4-Trifluoromethyl-Benzoic Acid
  • SMILES O=C(O)C1=CC=C(C(F)(F)F)C=C1[N+]([O-])=O

Description

2-Nitro-4-(trifluoromethyl)benzoic acid was used in preparation of 4-trifluoromethyl anthranilic acid.

Application

2-Nitro-4-(trifluoromethyl)benzoic acid serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted heterocycles via standard coupling reactions. Its dual electron-withdrawing groups—nitro and trifluoromethyl—enhance electrophilicity for nucleophilic aromatic substitution and facilitate functionalization at the aromatic ring. The carboxylic acid moiety supports direct derivatization or activation for amide and ester formation, offering robust utility in scaffold diversification. Bench-stable and readily purified by recrystallization, it functions reliably in multi-step synthetic sequences.

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-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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