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CS-W001157 4
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1-Nitro-3-(trifluoromethoxy)benzene

  • CAS No. 2995-45-1

  • Cat. No. CS-W015278
  • Purity≥98%
  • MDL No.MFCD00041011

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

1-Nitro-3-(trifluoromethoxy)benzene|CS-W015278

Structure of 2995-45-1

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General Information

  • CAS No. 2995-45-1
  • Cat. No. CS-W015278
  • Purity ≥98%
  • MDL No. MFCD00041011
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄F₃NO₃
  • Molecular Weight 207.11
  • Synonym(s) 3-(Trifluoromethoxy)nitrobenzene
  • SMILES FC(F)(F)OC1=CC([N+]([O-])=O)=CC=C1

Description

1-Nitro-3-(trifluoromethoxy)benzene features a para-nitro group flanked by a trifluoromethoxy substituent, delivering enhanced electron-withdrawing character. This configuration supports stable coupling reactions and facilitates functionalization in synthetic routes to pharmaceutical intermediates and agrochemicals.

Application

1-Nitro-3-(trifluoromethoxy)benzene serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling efficient access to substituted aromatic scaffolds. Its trifluoromethoxy group imparts enhanced metabolic stability and lipophilicity, while the nitro functionality facilitates sequential transformations including reduction to an amine, electrophilic substitution, or participation in transition-metal-catalyzed couplings. The compound exhibits excellent bench stability and is readily purified by recrystallization, supporting scalable synthesis workflows.

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   52.37
  • LogP   2.4934
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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