Description

1-Fluoro-3-nitro-5-(trifluoromethyl)benzene (CAS No. 454-73-9) is a high-purity fluorinated aromatic compound with the molecular formula C₇H₃F₄NO₂. This specialty chemical is widely utilized in pharmaceutical, agrochemical, and materials science research due to its unique reactivity as a nitro- and trifluoromethyl-substituted benzene derivative. The compound is supplied as a crystalline solid with >98% purity (HPLC) and is rigorously tested for consistency in batch-to-batch performance. Its molecular weight of 209.10 g/mol and precise structural features make it particularly valuable for nucleophilic aromatic substitution reactions, cross-coupling chemistry, and as a building block for advanced materials. Proper storage at 2-8°C in tightly sealed containers is recommended to maintain stability.

Properties

• CAS Number: 454-73-9
• Complexity: 225
• IUPAC Name: 1-fluoro-3-nitro-5-(trifluoromethyl)benzene
• InChI: InChI=1S/C7H3F4NO2/c8-5-1-4(7(9,10)11)2-6(3-5)12(13)14/h1-3H
• InChI Key: RKLBCPTURHSIOJ-UHFFFAOYSA-N
• Exact Mass: 209.00999099
• Molecular Formula: C7H3F4NO2
• Molecular Weight: 209.10
• SMILES: C1=C(C=C(C=C1[N+](=O)[O-])F)C(F)(F)F
• Topological: 45.8
• Monoisotopic Mass: 209.00999099
• Synonyms: 454-73-9, 1-fluoro-3-nitro-5-(trifluoromethyl)benzene, DTXSID90570823, DTXCID70521595, 3-Fluoro-5-nitro-1-trifluoromethylbenzene, 3-Fluoro-5-nitrobenzotrifluoride, MFCD07779168, 3-Fluoro-5-nitrobenzotrifluroide, Benzene, 1-fluoro-3-nitro-5-(trifluoromethyl)-, SCHEMBL1505899, LPJMOFDMJUNDEW-UHFFFAOYSA-N, AKOS015890564, AC-5754, CS-W003426, GS-4005, SY030045, 1-fluoro-3-(trifluoromethyl)-5-nitrobenzene, benzene, 1-fluoro-3-nitro-5-(trifluoromethyl)-;

Application

This fluorinated nitrobenzene derivative serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly those requiring trifluoromethyl groups for enhanced bioavailability. In materials science, it’s employed as a precursor for liquid crystals and specialty polymers with unique electronic properties. The compound’s reactivity also makes it valuable for developing agrochemicals with improved pest resistance profiles.

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