Description

3-Bromo-4-nitropyridine N-oxide (CAS No. 1678-49-5) is a high-purity heterocyclic compound with the molecular formula C₅H₃BrN₂O₃. This specialized chemical, also known by its IUPAC name 3-bromo-4-nitro-1-oxidopyridin-1-ium, is a valuable building block in organic synthesis and pharmaceutical research. The compound features both bromo and nitro functional groups on a pyridine N-oxide scaffold, making it particularly useful for nucleophilic substitution reactions and as a precursor for more complex nitrogen-containing heterocycles. Our product is rigorously tested to ensure ≥95% purity (HPLC) and is supplied as a crystalline solid with full characterization data including ¹H NMR, ¹³C NMR, and mass spectrometry. Suitable for medicinal chemistry, agrochemical development, and materials science applications. Packaged under inert atmosphere in amber glass vials to ensure stability.

Properties

• CAS Number: 1678-49-5
• Complexity: 160
• IUPAC Name: 3-bromo-4-nitro-1-oxido-pyridin-1-ium
• InChI: InChI=1S/C5H3BrN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3H
• InChI Key: YZQMKADIENBVLH-UHFFFAOYSA-N
• Exact Mass: 217.93270
• Molecular Formula: C5H3BrN2O3
• Molecular Weight: 218.99
• SMILES: C1=C[N+](=CC(=C1[N+](=O)[O-])Br)[O-]
• Topological: 71.3
• Monoisotopic Mass: 217.93270
• Synonyms: 1678-49-5, 3-Bromo-4-nitropyridine N-oxide, 3-Bromo-4-nitropyridine 1-oxide, Pyridine, 3-bromo-4-nitro-, 1-oxide, DTXSID40338339, 3-Bromo-4-nitropyridine oxide, DTXCID50289424, 640-759-0, yzqmkadienbvlh-uhfffaoysa-n, 3-bromo-4-nitro-1-oxidopyridin-1-ium, 3-bromo-4-nitropyridin-1-ium-1-olate, MFCD00085925, 3-bromo-4-nitropyridine-N-oxide, 3-bromo-4-nitropyridin-1-ol, 3-BROMO-4-NITROPYRIDINEN-OXIDE, 3-BROMO-4-NITRO-1-OXIDO-PYRIDIN-1-IUM, SCHEMBL741363, 3-bromo-4-nitropyridin-N-oxide, 3-Bromo-4-nitropyridine1-oxide, 3-bromo-4-nitro-pyridine-1-oxide, BCP07186, RB1064, SBB012862, STK785695, AKOS002264873, AC-8526, PB25968, AS-18152, SY007937, DB-026054, ST4130674, CS-0007588, EN300-127890, AC-907/25004339, AE-842/25000076

Application

3-Bromo-4-nitropyridine N-oxide serves as a versatile intermediate in pharmaceutical synthesis, particularly for the development of kinase inhibitors and antimicrobial agents. The compound’s reactive bromo and nitro groups enable efficient functionalization through cross-coupling reactions (e.g., Suzuki, Buchwald-Hartwig). In materials science, it finds use as a precursor for nitrogen-doped polycyclic aromatic hydrocarbons with optoelectronic properties. Researchers also employ this building block for constructing complex heterocyclic systems in medicinal chemistry programs targeting CNS disorders.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): 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]
• H332 (20%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.