Description

Ethyl 2-chloro-4-nitrobenzoate (CAS No. 73097-02-6) is a high-purity organic compound with the molecular formula C₉H₈ClNO₄. This ester derivative of 2-chloro-4-nitrobenzoic acid is a versatile building block in synthetic organic chemistry, particularly in pharmaceutical and agrochemical research. The compound features a chloro substituent at the ortho position and a nitro group at the para position relative to the ester functionality, offering unique reactivity for nucleophilic aromatic substitution and reduction reactions. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied as a crystalline solid with consistent batch-to-batch quality. Ideal for use in combinatorial chemistry, medicinal chemistry, and material science applications. Available in convenient packaging options from grams to kilogram quantities with full analytical documentation (COA, MSDS, NMR).

Properties

• CAS Number: 73097-02-6
• Complexity: 253
• IUPAC Name: ethyl 2-chloro-4-nitro-benzoate
• InChI: InChI=1S/C9H8ClNO4/c1-2-15-9(12)7-4-3-6(11(13)14)5-8(7)10/h3-5H,2H2,1H3
• InChI Key: JFEBEHFIJNRGAT-UHFFFAOYSA-N
• Exact Mass: 229.0141854
• Molecular Formula: C9H8ClNO4
• Molecular Weight: 229.62
• SMILES: CCOC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])Cl
• Topological: 72.1
• Monoisotopic Mass: 229.0141854
• Synonyms: Ethyl 2-chloro-4-nitrobenzoate, 73097-02-6, Benzoic acid, 2-chloro-4-nitro-, ethyl ester, Ethyl2-chloro-4-nitrobenzoate, SCHEMBL8490992, JFEBEHFIJNRGAT-UHFFFAOYSA-N, AB7166, MFCD00449888, AKOS003615041, DB-307946, CS-0315629

Application

Ethyl 2-chloro-4-nitrobenzoate serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly those with antibacterial and antifungal properties. The nitro group facilitates further functionalization through reduction to amines or conversion to other nitrogen-containing heterocycles. Researchers utilize this compound in Suzuki-Miyaura coupling reactions to create biaryl structures for drug discovery programs. Its ester group allows for straightforward hydrolysis to the corresponding carboxylic acid or transesterification reactions.

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