Description

4-Methyl-1H-imidazole-5-carboxylic acid (CAS No. 1457-59-6) is a high-purity heterocyclic carboxylic acid with the molecular formula C₅H₆N₂O₂. This compound, also known by its IUPAC name 5-methyl-1H-imidazole-4-carboxylic acid, is a versatile building block in organic synthesis and pharmaceutical research. Its imidazole core structure makes it valuable for developing biologically active molecules, coordination chemistry, and as a precursor for more complex heterocycles. Our product is rigorously tested for purity and consistency, ensuring optimal performance in sensitive applications. Supplied as a fine white to off-white powder, it is packaged under inert conditions to guarantee stability and longevity.

Key applications include medicinal chemistry (kinase inhibitors, antiviral agents), metal-organic frameworks (MOFs), and agrochemical research. Store in a cool, dry place away from light and moisture. For research use only.

Properties

• CAS Number: 1457-59-6
• Complexity: 126
• IUPAC Name: 5-methyl-1H-imidazole-4-carboxylic acid
• InChI: InChI=1S/C5H6N2O2/c1-3-4(5(8)9)7-2-6-3/h2H,1H3,(H,6,7)(H,8,9)
• InChI Key: ULHLTDXPKWELHQ-UHFFFAOYSA-N
• Exact Mass: 126.042927438
• Molecular Formula: C5H6N2O2
• Molecular Weight: 126.11
• SMILES: CC1=C(N=CN1)C(=O)O
• Topological: 66
• Monoisotopic Mass: 126.042927438
• Synonyms: 1457-59-6, 4-Methyl-1H-imidazole-5-carboxylic acid, 5-methyl-1H-imidazole-4-carboxylic acid, 5-Methyl-4-imidazolecarboxylic Acid, 1H-Imidazole-5-carboxylic acid, 4-methyl-, 5-Methyl-1H-4-carboxylic acid, 5-methyl-imidazole-4-carboxylic acid, 5-Methyl-3H-imidazole-4-carboxylic acid, 1H-Imidazole-4-carboxylic acid, 5-methyl-, EINECS 215-944-0, MFCD00233368, SCHEMBL266474, SCHEMBL1667866, SCHEMBL3666808, SCHEMBL8409618, CHEBI:74747, imidazole, 5-carboxy-4-methyl-, DTXSID80163142, 4-methyl-5-imidazolecarboxylic acid, ALBB-011929, MFCD12827531, STK897772, AKOS005173403, AKOS005638916, NCGC00339782-01, AC-28875, AS-10256, SY022377, CS-0130421, NS00024756, EN300-96356, M57015, S10285, AB01332349-02, 5-Methyl-3H-imidazole-4-carboxylic acid, AldrichCPR, Q27144874

Application

4-Methyl-1H-imidazole-5-carboxylic acid serves as a key intermediate in synthesizing pharmaceuticals targeting enzyme inhibition (e.g., kinase modulators). Its imidazole moiety facilitates metal coordination in catalytic systems and MOF construction. Researchers also utilize it to develop novel antifungal and antibacterial agents due to its heterocyclic bioactivity.

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 (100%): 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.