Description

2-Chloro-5-fluoro-4-methyl-3-nitrobenzoic acid (CAS: 103877-62-9) is a high-purity, specialty benzoic acid derivative designed for advanced research and pharmaceutical applications. With the molecular formula C₈H₅ClFNO₄, this compound features a unique nitro and chloro-fluoro substitution pattern, making it a valuable intermediate in organic synthesis and medicinal chemistry. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied as a fine, crystalline powder with excellent batch-to-batch consistency. Ideal for use in heterocyclic compound synthesis, this benzoic acid derivative is packaged under inert conditions to guarantee stability and longevity. Available in quantities from milligrams to kilograms, we provide comprehensive analytical data including ¹H NMR, ¹³C NMR, and mass spectrometry reports upon request.

Properties

• CAS Number: 103877-62-9
• Complexity: 282
• IUPAC Name: 2-chloro-5-fluoro-4-methyl-3-nitro-benzoic acid
• InChI: InChI=1S/C8H5ClFNO4/c1-3-5(10)2-4(8(12)13)6(9)7(3)11(14)15/h2H,1H3,(H,12,13)
• InChI Key: BKQKMEQUGIYDBP-UHFFFAOYSA-N
• Exact Mass: 232.9891135
• Molecular Formula: C8H5ClFNO4
• Molecular Weight: 233.58
• SMILES: CC1=C(C=C(C(=C1[N+](=O)[O-])Cl)C(=O)O)F
• Topological: 83.1
• Monoisotopic Mass: 232.9891135
• Synonyms: 2-Chloro-5-fluoro-4-methyl-3-nitro-benzoic acid, 103877-62-9, 2-chloro-5-fluoro-4-methyl-3-nitrobenzoic acid, SCHEMBL450176, BKQKMEQUGIYDBP-UHFFFAOYSA-N, AT10627, DB-303141

Application

This compound serves as a key building block in the synthesis of complex heterocyclic structures, particularly in pharmaceutical research targeting novel bioactive molecules. Its unique substitution pattern makes it valuable for developing fluorinated drug candidates and agrochemical intermediates. Researchers utilize this nitrobenzoic acid derivative in palladium-catalyzed cross-coupling reactions and as a precursor for various nitrogen-containing heterocycles.

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