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Atomfair 5-Fluoro-2-nitrobenzoic acid methyl ester C8H6FNO4

Description 5-Fluoro-2-nitrobenzoic acid methyl ester (CAS No. 393-85-1) is a high-purity fluorinated nitroaromatic compound with the molecular formula C8H6FNO4. This methyl ester derivative of 5-fluoro-2-nitrobenzoic acid is a versatile building block in organic synthesis, particularly for pharmaceutical and agrochemical applications. The compound features a fluorine substituent at the 5-position and a nitro group at the 2-position of the benzoate ring system, offering unique reactivity for nucleophilic aromatic substitution and reduction reactions. Supplied as a crystalline solid with >98% purity (HPLC), it is rigorously tested for identity (FTIR, NMR) and impurities (GC-MS). Packaged under inert gas in amber glass vials to…

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Description

Description

5-Fluoro-2-nitrobenzoic acid methyl ester (CAS No. 393-85-1) is a high-purity fluorinated nitroaromatic compound with the molecular formula C8H6FNO4. This methyl ester derivative of 5-fluoro-2-nitrobenzoic acid is a versatile building block in organic synthesis, particularly for pharmaceutical and agrochemical applications. The compound features a fluorine substituent at the 5-position and a nitro group at the 2-position of the benzoate ring system, offering unique reactivity for nucleophilic aromatic substitution and reduction reactions. Supplied as a crystalline solid with >98% purity (HPLC), it is rigorously tested for identity (FTIR, NMR) and impurities (GC-MS). Packaged under inert gas in amber glass vials to ensure stability, this reagent is ideal for medicinal chemistry, material science, and cross-coupling reactions. Store at 2-8??C in a dry environment.

  • CAS No: 393-85-1
  • Molecular Formula: C8H6FNO4
  • Molecular Weight: 199.14
  • Exact Mass: 199.02808583
  • Monoisotopic Mass: 199.02808583
  • IUPAC Name: methyl 5-fluoro-2-nitrobenzoate
  • SMILES: COC(=O)C1=C(C=CC(=C1)F)[N+](=O)[O-]
  • Synonyms: 5-fluoro-2-nitrobenzoic acid methyl ester, Benzoic acid, 5-fluoro-2-nitro-, methyl ester, EC 609-664-1, 609-664-1, Methyl 5-fluoro-2-nitrobenzoate

Application

5-Fluoro-2-nitrobenzoic acid methyl ester serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, including protease inhibitors and kinase-targeting agents. The nitro group facilitates subsequent reduction to amines for heterocycle formation, while the ester moiety allows for versatile derivatization via hydrolysis or transesterification. Researchers utilize this compound to introduce fluorine into complex molecules, leveraging its enhanced bioavailability and metabolic stability. It is particularly valuable in PET radiotracer development due to the fluorine-18 labeling potential.

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