Description

1-Methyl-3,5-dinitro-1H-pyridin-2-one (CAS No. 14150-94-8) is a high-purity nitro-substituted pyridine derivative with the molecular formula C₆H₅N₃O₅. This specialized chemical compound is rigorously synthesized and purified to meet the exacting standards of research and industrial applications. Characterized by its crystalline solid form and distinctive molecular structure featuring both nitro and methyl functional groups, it serves as a valuable intermediate in organic synthesis and pharmaceutical development. Each batch undergoes stringent QC testing including HPLC, NMR, and mass spectrometry to ensure ≥98% purity. Packaged under inert atmosphere in amber glass vials with PTFE-lined caps to prevent degradation. Ideal for use in heterocyclic chemistry research, energetic materials studies, and as a precursor for advanced material synthesis.

Properties

• CAS Number: 14150-94-8
• Complexity: 372
• IUPAC Name: 1-methyl-3,5-dinitro-pyridin-2-one
• InChI: InChI=1S/C6H5N3O5/c1-7-3-4(8(11)12)2-5(6(7)10)9(13)14/h2-3H,1H3
• InChI Key: QARVELJVEBLWGK-UHFFFAOYSA-N
• Exact Mass: 199.02292027
• Molecular Formula: C6H5N3O5
• Molecular Weight: 199.12
• SMILES: CN1C=C(C=C(C1=O)[N+](=O)[O-])[N+](=O)[O-]
• Topological: 112
• Monoisotopic Mass: 199.02292027
• Synonyms: 14150-94-8, 1-METHYL-3,5-DINITRO-1H-PYRIDIN-2-ONE, DTXSID10394381, DTXCID00345241, 627-174-6, 1-Methyl-3,5-dinitropyridin-2(1H)-one, 1-methyl-3,5-dinitro-1,2-dihydropyridin-2-one, 2(1H)-Pyridinone, 1-methyl-3,5-dinitro-, 1-methyl-3,5-dinitropyridin-2-one, MFCD00456280, 1-Methyl-3,5-dinitro-2-pyridone, 1-methyl-3,5-dinitropyridine-2(1H)-one, 1-methyl-3,5-dinitro-pyridin-2-one, 3,5-Dinitro-1-Methyl-2-Pyridone, 1-methyl-3,5-dinitro-2(1H)-Pyridinone, SCHEMBL397235, 1-methyl-3,5-dinitro-pyridone, QARVELJVEBLWGK-UHFFFAOYSA-N, ALBB-030438, BCP21947, 3,5-Dinitro-1-methylpyridin-2-one, AKOS015850754, AKOS015912673, CS-W013205, PB29077, AC-22636, AS-18109, SY023535, DB-027432, M2820, EN300-118065, 1-Methyl-3,5-dinitropyridin-2(1H)-one, 97%

Application

This compound is primarily utilized as a key synthetic intermediate in the preparation of nitrogen-rich heterocyclic compounds for pharmaceutical and agrochemical research. Its nitro-functionalized pyridine core makes it valuable for studying energetic materials and propellant formulations. Researchers also employ it as a building block for developing novel ligands in coordination chemistry. The methyl and nitro substituents provide unique reactivity for selective functionalization in multi-step syntheses.

Safety and Hazards

GHS Hazard Statements

• H301 (90.7%): Toxic if swallowed [Danger Acute toxicity, oral]

Precautionary Statements

• P264, P270, P301+P316, P321, P330, P405, and P501

Hazard Classes and Categories

• Acute Tox. 3 (90.7%)

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