Description

2-Acetyl-4-chlorobenzoic acid (CAS No. 1664338-78-6) is a high-purity organic compound with the molecular formula C₉H₇ClO₃. This chlorinated benzoic acid derivative features an acetyl group at the 2-position, making it a valuable intermediate in synthetic organic chemistry and pharmaceutical research. The compound is supplied as a fine, white to off-white crystalline powder with a purity of ≥95% (HPLC). It is soluble in common organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO), but has limited solubility in water. Suitable for research and development purposes, this chemical is packaged under inert gas in amber glass vials to ensure stability and longevity. Storage recommendations include keeping the product at 2-8°C in a dry, well-ventilated area away from oxidizing agents.

Key applications include its use as a building block in the synthesis of pharmaceuticals, agrochemicals, and specialty chemicals. Researchers value this compound for its reactive acetyl and carboxylic acid functional groups, which allow for further derivatization. The product is ideal for medicinal chemistry, drug discovery, and material science applications. Each batch is accompanied by comprehensive analytical data including ¹H NMR, HPLC, and mass spectrometry reports to ensure quality and consistency.

Properties

• CAS Number: 1664338-78-6
• Complexity: 227
• IUPAC Name: 2-acetyl-4-chloro-benzoic acid
• InChI: InChI=1S/C9H7ClO3/c1-5(11)8-4-6(10)2-3-7(8)9(12)13/h2-4H,1H3,(H,12,13)
• InChI Key: FTGJLZQGQMUPQB-UHFFFAOYSA-N
• Exact Mass: 198.0083718
• Molecular Formula: C9H7ClO3
• Molecular Weight: 198.60
• SMILES: CC(=O)C1=C(C=CC(=C1)Cl)C(=O)O
• Topological: 54.4
• Monoisotopic Mass: 198.0083718
• Synonyms: 2-acetyl-4-chlorobenzoic acid, SCHEMBL22114102, 1664338-78-6

Application

2-Acetyl-4-chlorobenzoic acid serves as a versatile intermediate in organic synthesis, particularly in the development of pharmaceutical compounds and fine chemicals. Its reactive functional groups enable facile modification for structure-activity relationship (SAR) studies in drug discovery. The compound is also employed in the synthesis of agrochemicals and as a precursor for heterocyclic compounds. Researchers utilize this chemical in coupling reactions and as a scaffold for designing novel bioactive molecules.

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