Description

3-Isoxazolecarboxylic acid (CAS No. 3209-71-0) is a high-purity heterocyclic organic compound with the molecular formula C₄H₃NO₃. This fine chemical is widely utilized in pharmaceutical research, agrochemical development, and material science due to its versatile isoxazole scaffold. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied as a white to off-white crystalline powder with excellent batch-to-batch consistency. Ideal for coupling reactions, metal-catalyzed transformations, and as a building block for bioactive molecules, this compound is packaged under inert atmosphere to guarantee stability. Available in research quantities (100mg to 100g) with optional analytical certificates.

Properties

• CAS Number: 3209-71-0
• Complexity: 103
• IUPAC Name: isoxazole-3-carboxylic acid
• InChI: InChI=1S/C4H3NO3/c6-4(7)3-1-2-8-5-3/h1-2H,(H,6,7)
• InChI Key: UXYRXGFUANQKTA-UHFFFAOYSA-N
• Exact Mass: 113.011292958
• Molecular Formula: C4H3NO3
• Molecular Weight: 113.07
• SMILES: C1=CON=C1C(=O)O
• Topological: 63.3
• Monoisotopic Mass: 113.011292958
• Synonyms: 3-Isoxazolecarboxylic acid, 1,2-oxazole-3-carboxylic Acid, DTXSID20461134, DTXCID80411953, 819-129-6, 3209-71-0, Isoxazole-3-carboxylic acid, isoxazolecarboxylic acid, Isoxazole-3-carboxylicacid, MFCD06738796, isoxazole-3-carboxylic, SCHEMBL109365, SCHEMBL1323514, SCHEMBL3958960, ALBB-021710, SBB065956, STK695305, AKOS000505618, CS-W008200, PB26232, AC-14396, SY031545, TS-01566, DB-013153, ST4147659, EN300-22245, F8887-4797, Z147642256

3-Isoxazolecarboxylic acid serves as a key intermediate in the synthesis of pharmaceutical compounds, particularly in developing novel antimicrobial and anti-inflammatory agents. The isoxazole moiety is valuable for creating bioactive molecules with improved metabolic stability. Researchers utilize this compound in peptide coupling reactions and as a ligand in coordination chemistry. Its carboxylic acid functionality enables easy derivatization for structure-activity relationship studies.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P317, P330, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.