Description

3,5-Dinitro-1H-pyridin-2-one (CAS 2980-33-8) is a high-purity nitro-substituted pyridinone compound with the molecular formula C₅H₃N₃O₅. This yellow crystalline solid (MW 185.10 g/mol) exhibits unique reactivity due to its electron-deficient aromatic system and tautomeric equilibrium between pyridinone and pyridinol forms. As a bifunctional scaffold containing both nitro groups and a reactive hydroxyl moiety, it serves as a versatile building block in pharmaceutical intermediates, energetic materials research, and coordination chemistry. The compound is supplied with comprehensive analytical documentation including ¹H/¹³C NMR spectra, HPLC purity reports (>98%), and elemental analysis data. Proper handling requires PPE due to potential irritant properties and thermal instability under extreme conditions.

Properties

• CAS Number: 2980-33-8
• Complexity: 344
• IUPAC Name: 3,5-dinitro-1H-pyridin-2-one
• InChI: InChI=1S/C5H3N3O5/c9-5-4(8(12)13)1-3(2-6-5)7(10)11/h1-2H,(H,6,9)
• InChI Key: KSZZJOXNRQKULB-UHFFFAOYSA-N
• Exact Mass: 185.00727020
• Molecular Formula: C5H3N3O5
• Molecular Weight: 185.09
• SMILES: C1=C(C(=O)NC=C1[N+](=O)[O-])[N+](=O)[O-]
• Topological: 121
• Monoisotopic Mass: 185.00727020
• Synonyms: 2-Hydroxy-3,5-dinitropyridine, 2(1H)-Pyridinone, 3,5-dinitro-, 2-Pyridinol, 3,5-dinitro-, 3,5-Dinitro-2-hydroxypyridine, 3,5-dinitro-2(1H)-Pyridinone, NSC 52198, DTXSID1062754, DTXCID7038074, 629-225-8, 2980-33-8, 3,5-dinitropyridin-2-ol, 3,5-Dinitro-2-pyridone, 3,5-Dinitro-2-pyridinol, 3,5-dinitro-1H-pyridin-2-one, 3,5-dinitropyridin-2(1H)-one, 222548-10-9, MFCD00039716, C5H3N3O5, NSC52198, 3,5-dinitropyridone, 2-Pyridinol,5-dinitro-, Oprea1_319758, 3,5-Dinitro-2-pyridinol #, SCHEMBL2178791, SCHEMBL3293088, 2(1H)-Pyridinone,5-dinitro-, 2(1H)-Pyridinone,3,5-dinitro-, ALBB-021983, CL0097, NSC-52198, SBB065525, AKOS005254301, AKOS006243255, 2-Hydroxy-3,5-dinitropyridine, 97%, CS-W016963, DS-1448, AC-22635, AC-22642, BP-12967, SY017249, A4780, ST50409024, EN300-85404, I11721

Application

This compound is primarily employed as a precursor in the synthesis of high-energy density materials and pharmaceutical intermediates. Researchers utilize its nitro groups for nucleophilic aromatic substitution reactions to create complex heterocyclic systems. In materials science, it serves as a ligand for transition metal complexes with potential catalytic applications. The compound’s unique electronic properties make it valuable for studying charge-transfer complexes and nonlinear optical materials.

Safety and Hazards

GHS Hazard Statements

• H302 (11.4%): 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 (11.4%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

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