Description

Ethyl 4,5-Difluoro-2-nitrobenzoate (CAS No. 1214387-06-0) is a high-purity fluorinated nitrobenzoate ester with the molecular formula C₉H₇F₂NO₄. This compound is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. Its unique structure, featuring both fluorine and nitro functional groups, enables selective reactivity for advanced derivatization. Available in >98% purity (HPLC), this product is rigorously tested for consistency and stability, ensuring optimal performance in demanding applications. Packaged under inert gas to prevent degradation, it is ideal for researchers requiring reliable, high-quality intermediates for heterocyclic chemistry, cross-coupling reactions, or medicinal chemistry programs.

Properties

• CAS Number: 1214387-06-0
• Complexity: 281
• IUPAC Name: ethyl 4,5-difluoro-2-nitro-benzoate
• InChI: InChI=1S/C9H7F2NO4/c1-2-16-9(13)5-3-6(10)7(11)4-8(5)12(14)15/h3-4H,2H2,1H3
• InChI Key: CWBDZGOBRZAYMQ-UHFFFAOYSA-N
• Exact Mass: 231.03431403
• Molecular Formula: C9H7F2NO4
• Molecular Weight: 231.15
• SMILES: CCOC(=O)C1=CC(=C(C=C1[N+](=O)[O-])F)F
• Topological: 72.1
• Monoisotopic Mass: 231.03431403
• Synonyms: Ethyl 4,5-Difluoro-2-nitrobenzoate, 1214387-06-0, Benzoic acid, 4,5-difluoro-2-nitro-, ethyl ester, 4,5-Difluoro-2-nitrobenzoic Acid Ethyl Ester, MFCD11042826, Ethyl4,5-Difluoro-2-nitrobenzoate, SCHEMBL2684598, CWBDZGOBRZAYMQ-UHFFFAOYSA-N, AC2315, AKOS011265615, CS-11250, SY012357, DB-367129, CS-0148215, Ethyl 4 pound not5-Difluoro-2-nitrobenzoate

Application

Ethyl 4,5-Difluoro-2-nitrobenzoate serves as a key intermediate in the synthesis of fluorinated pharmaceuticals and bioactive molecules. Its nitro group facilitates nucleophilic aromatic substitution reactions, while the ester moiety allows further functionalization via hydrolysis or transesterification. Researchers utilize this compound in the development of kinase inhibitors and antimicrobial agents due to its electron-withdrawing properties. It is also employed in material science for creating fluorinated liquid crystals or polymers with tailored electronic characteristics.

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