Description

4-Methyl-1,2,5-oxadiazole-3-carboxylic acid (CAS No. 58677-34-2) is a high-purity heterocyclic carboxylic acid with the molecular formula C₄H₄N₂O₃. This specialized organic compound features a methyl-substituted oxadiazole ring coupled with a carboxylic acid functional group, making it a valuable intermediate in pharmaceutical and agrochemical research. With a molecular weight of 128.09 g/mol, it is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). Ideal for use in medicinal chemistry, this compound is rigorously tested for quality, stability, and consistency, ensuring reliable performance in synthetic applications. Store in a cool, dry place under inert conditions to maintain integrity.

Properties

• CAS Number: 58677-34-2
• Complexity: 127
• IUPAC Name: 4-methyl-1,2,5-oxadiazole-3-carboxylic acid
• InChI: InChI=1S/C4H4N2O3/c1-2-3(4(7)8)6-9-5-2/h1H3,(H,7,8)
• InChI Key: GAIAHHRZVGJYQW-UHFFFAOYSA-N
• Exact Mass: 128.02219199
• Molecular Formula: C4H4N2O3
• Molecular Weight: 128.09
• SMILES: CC1=NON=C1C(=O)O
• Topological: 76.2
• Monoisotopic Mass: 128.02219199
• Synonyms: 4-methyl-1,2,5-oxadiazole-3-carboxylic acid, DTXSID00310934, DTXCID00262060, 675-516-8, 58677-34-2, 4-Methylfurazan-3-carboxylic acid, 4-Methyl-furazan-3-carboxylic acid, MFCD00461519, 4-?Methyl-?1,?2,?5-?oxadiazole-?3-?carboxylic Acid, NSC234497, SCHEMBL261709, ICA67734, BBL028634, SBB013313, STK241112, AKOS000620936, CCG-321642, NSC-234497, SB37804, DA-04640, SY079200, ST4119536, 4-methyl-1,2,5-oxadiazole-3-carboxylicacid, CS-0099433, EN300-75674, S12290, 1,2,5-oxadiazole-3-carboxylic acid, 4-methyl-, F1984-0163, Z406351110

Application

4-Methyl-1,2,5-oxadiazole-3-carboxylic acid serves as a key building block in the synthesis of heterocyclic pharmaceuticals, particularly for developing novel antimicrobial and anti-inflammatory agents. Its reactive carboxylic acid group enables facile derivatization for drug discovery programs. Researchers also utilize it in agrochemical studies to create bioactive molecules targeting pest resistance. The oxadiazole core is of interest in materials science for designing functional polymers and ligands.

Safety and Hazards

GHS Hazard Statements

• H302 (25%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (25%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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