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2-Fluoro-1-nitro-3-(trifluoromethyl)benzene

  • CAS No. 61324-97-8

  • Cat. No. CS-0119908
  • Purity≥97%
  • MDL No.MFCD08532487

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

2-Fluoro-1-nitro-3-(trifluoromethyl)benzene|CS-0119908

Structure of 61324-97-8

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General Information

  • CAS No. 61324-97-8
  • Cat. No. CS-0119908
  • Purity ≥97%
  • MDL No. MFCD08532487
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₃F₄NO₂
  • Molecular Weight 209.10
  • Synonym(s) 2-Fluoro-3-nitrobenzotrifluoride
  • SMILES FC(C1=C(F)C([N+]([O-])=O)=CC=C1)(F)F

Description

2-Fluoro-1-nitro-3-(trifluoromethyl)benzene features a trifluoromethyl group and a nitro substituent positioned ortho to each other on a fluorinated benzene ring, creating a highly electron-deficient aromatic system. This configuration enables direct coupling reactions in cross-coupling protocols and facilitates functionalization in pharmaceutical synthesis. The molecule exhibits enhanced stability under standard bench conditions and tolerates moisture-sensitive transformations.

Application

2-Fluoro-1-nitro-3-(trifluoromethyl)benzene serves as a versatile building block in medicinal chemistry, enabling efficient construction of fluorinated heterocycles and bioactive scaffolds. The ortho-fluoro and nitro groups facilitate palladium-catalyzed cross-coupling reactions and sequential functionalization, while the trifluoromethyl group imparts enhanced metabolic stability and lipophilicity. Its bench-stable nature and compatibility with standard reaction conditions make it well-suited for iterative 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

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Computational Chemistry Data

  • TPSA   43.14
  • LogP   2.7527
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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