Description

Methyl 1H-1,2,4-triazole-3-carboxylate (CAS No. 4928-88-5) is a high-purity heterocyclic organic compound with the molecular formula C₄H₅N₃O₂. This white to off-white crystalline powder is a versatile building block in pharmaceutical and agrochemical synthesis, offering excellent reactivity due to its triazole core and ester functionality. With a molecular weight of 127.10 g/mol, it is soluble in common organic solvents such as methanol, ethanol, and DMSO. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied with full analytical documentation including ¹H NMR, ¹³C NMR, and mass spectrometry data. Ideal for medicinal chemistry, this compound is packaged under inert atmosphere in amber glass vials to ensure stability.

Properties

• CAS Number: 4928-88-5
• Complexity: 116
• IUPAC Name: methyl 1H-1,2,4-triazole-5-carboxylate
• InChI: InChI=1S/C4H5N3O2/c1-9-4(8)3-5-2-6-7-3/h2H,1H3,(H,5,6,7)
• InChI Key: QMPFMODFBNEYJH-UHFFFAOYSA-N
• Exact Mass: 127.038176411
• Molecular Formula: C4H5N3O2
• Molecular Weight: 127.10
• SMILES: COC(=O)C1=NC=NN1
• Topological: 67.9
• Monoisotopic Mass: 127.038176411
• Synonyms: methyl 1H-1,2,4-triazole-3-carboxylate, Methyl 1,2,4-triazole-3-carboxylate, methyl 1H-1,2,4-triazole-5-carboxylate, DTXSID10370605, DTXCID30321639, 480-470-5, 610-451-0, 4928-88-5, methyl 4H-1,2,4-triazole-3-carboxylate, 1H-1,2,4-Triazole-3-carboxylic acid methyl ester, Methyl-1H-1,2,4-triazole-3-carboxylate, 1H-1,2,4-Triazole-3-carboxylic acid, methyl ester, MFCD00135989, 2227213-13-8, 1,2,4-Triazole-3-Carboxylic Acid Methylester, 1,2,4-triazole-3-carboxylic acid methyl ester, 1H-1,2,4-triazole-5-carboxylic acid methyl ester, SCHEMBL538234, SCHEMBL689727, SCHEMBL1430185, SCHEMBL1430275, SCHEMBL1430713, SCHEMBL11071845, SCHEMBL21407168, 5-carbomethoxy-1,2,4-triazole, 3-methoxycarbonyl-1,2,4-triazole, MFCD00078269, SBB025958, STK352887, 1,2,4-Triazole-3-methyl-carboxylate, AKOS005442001, AKOS009143218, CCG-321689, CS-W007685, FM43745, HY-W007685, methyl1H-1,2,4-triazole-3-carboxylate, AC-11651, AS-10771, BP-20318, SY015262, DB-019191, M2368, NS00077881, ST45133915, EN300-53054, F14150, G63028, Methyl-1H-1,2,4-triazole-3-carboxylate, 98%, A827695, 1H-[1,2,4]triazole-3-carboxylic acid methyl ester, Methyl 1H-1,2,4-Triazole-3-carboxylate; s-Triazole-3-carboxylic Acid Methyl Ester; 3-Methoxycarbonyl-1,2,4-triazole; Methyl 4H-1,2,4-Triazole-3-carboxylate

Application

Methyl 1H-1,2,4-triazole-3-carboxylate serves as a key intermediate in the synthesis of triazole-containing pharmaceuticals, particularly antifungal and antiviral agents. Researchers utilize this compound in peptidomimetic design due to its ability to mimic peptide bonds while enhancing metabolic stability. In material science, it functions as a precursor for corrosion inhibitors and polymer modifiers. The ester group allows for further derivatization through hydrolysis or nucleophilic substitution reactions.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (80%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

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

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (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.