Cas no 1678-49-5 (3-bromo-4-nitropyridine 1-oxide)

3-Bromo-4-nitropyridine 1-oxide is a heterocyclic compound featuring a pyridine core functionalized with bromo and nitro substituents, as well as an N-oxide moiety. This structure imparts unique reactivity, making it a valuable intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, agrochemicals, and specialty materials. The bromo and nitro groups offer versatile sites for further functionalization via nucleophilic substitution or metal-catalyzed cross-coupling reactions. The N-oxide group enhances electrophilicity, facilitating regioselective modifications. Its well-defined reactivity profile and stability under standard handling conditions make it a reliable building block for complex molecular architectures. Suitable for use in controlled environments by trained professionals.
3-bromo-4-nitropyridine 1-oxide structure
1678-49-5 structure
Product Name:3-bromo-4-nitropyridine 1-oxide
CAS No:1678-49-5
MF:C5H3BrN2O3
MW:218.992920160294
MDL:MFCD00085925
CID:83883
PubChem ID:548521
Update Time:2025-10-31

3-bromo-4-nitropyridine 1-oxide Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-4-nitropyridine N-oxide
    • AURORA 23192
    • 3-BROMO-4-NITROPYRIDINE 1-OXIDE
    • 3-Bromo-4-nitropyridine-N-oxide
    • 3-bromo-4-nitro-1-oxidopyridin-1-ium
    • 3-Bromo-4-nitropyridine 1...
    • 4-nitro-3-bromo pyridine N-oxide
    • 3-broMo-4-nitro-1$l^{5}-pyridin-1-one
    • 3-BROMO-4-NITROPYRIDINE N-OXIDE, 98+%
    • Pyridine, 3-bromo-4-nitro-, 1-oxide
    • 3-BROMO-4-NITRO-1-OXIDO-PYRIDIN-1-IUM
    • 3-bromo-4-nitropyridin-1-ol
    • ZERO/004670
    • 3-bromo-4-nitropyridin-N-oxide
    • YZQMKADIENBVLH-UHFFFAOYSA-N
    • 3-Bromo-4-nitropyridine-1-oxide
    • 3-bromo-4-nitro-pyridine-1-oxide
    • 3-bromo-4-nitro-1-pyridiniumola
    • MFCD00085925
    • 3-bromo-4-nitropyridin-1-ium-1-olate
    • AC-8526
    • A810912
    • AC-907/25004339
    • BCP07186
    • FT-0615168
    • PB25968
    • EN300-127890
    • SY007937
    • SCHEMBL741363
    • CS-0007588
    • AKOS002264873
    • RB1064
    • 1678-49-5
    • 3-BROMO-4-NITROPYRIDINEN-OXIDE
    • J-511944
    • DTXSID40338339
    • 3-Bromo-4-nitropyridine N-oxide;3-Bromo-4-nitropyridine 1-Oxide
    • 3-Bromo-4-nitropyridine1-oxide
    • AS-18152
    • AM62684
    • STK785695
    • DB-026054
    • 3-Bromo-4-nitropyridine oxide
    • DTXCID50289424
    • 3-bromo-4-nitropyridine 1-oxide
    • MDL: MFCD00085925
    • Inchi: 1S/C5H3BrN2O3/c6-4-3-7(9)2-1-5(4)8(10)11/h1-3H
    • InChI Key: YZQMKADIENBVLH-UHFFFAOYSA-N
    • SMILES: BrC1C=[N+](C=CC=1[N+](=O)[O-])[O-]
    • BRN: 150822

Computed Properties

  • Exact Mass: 217.93300
  • Monoisotopic Mass: 217.933
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 160
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 0.4
  • Topological Polar Surface Area: 71.3

Experimental Properties

  • Color/Form: Yellow crystalline powder
  • Density: 1.98
  • Melting Point: 152-154°C
  • Boiling Point: 393°C at 760 mmHg
  • Flash Point: 191.5°C
  • Refractive Index: 1.666
  • Water Partition Coefficient: Sparingly Soluble in water (0.92 g/L at 25°C).
  • PSA: 71.28000
  • LogP: 2.30900
  • Solubility: Not determined

3-bromo-4-nitropyridine 1-oxide Security Information

  • Hazard Category Code: 20/21/22-36/37/38
  • Safety Instruction: S26-S36/37/39
  • PackingGroup:III
  • Packing Group:III
  • Risk Phrases:R20/21/22
  • Safety Term:S26-36/37/39

3-bromo-4-nitropyridine 1-oxide Customs Data

  • HS CODE:2933399090
  • Customs Data:

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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3-bromo-4-nitropyridine 1-oxide Production Method

3-bromo-4-nitropyridine 1-oxide Suppliers

Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:1678-49-5)3-bromo-4-nitropyridine 1-oxide
Order Number:A810912
Stock Status:in Stock
Quantity:50.0g/100.0g
Purity:99%
Pricing Information Last Updated:Friday, 30 August 2024 04:53
Price ($):247.0/430.0

3-bromo-4-nitropyridine 1-oxide Related Literature

Additional information on 3-bromo-4-nitropyridine 1-oxide

Introduction to 3-Bromo-4-Nitropyridine 1-Oxide (CAS No. 1678-49-5)

3-Bromo-4-nitropyridine 1-oxide (CAS No. 1678-49-5) is a versatile compound that has garnered significant attention in the fields of medicinal chemistry and pharmaceutical research. This compound is characterized by its unique chemical structure, which includes a bromine atom, a nitro group, and an N-oxide functionality on a pyridine ring. These features contribute to its diverse reactivity and potential applications in the development of novel drugs and therapeutic agents.

The chemical structure of 3-bromo-4-nitropyridine 1-oxide is represented by the molecular formula C5H3BrN2O3. The presence of the bromine atom and the nitro group provides opportunities for various chemical transformations, making it a valuable intermediate in synthetic chemistry. The N-oxide functionality further enhances its reactivity and stability, which are crucial for its use in pharmaceutical research.

Recent studies have highlighted the potential of 3-bromo-4-nitropyridine 1-oxide in the development of new therapeutic agents. For instance, a study published in the Journal of Medicinal Chemistry (2022) demonstrated that this compound can serve as a key intermediate in the synthesis of potent inhibitors of specific enzymes involved in various diseases. The researchers found that derivatives of 3-bromo-4-nitropyridine 1-oxide exhibited significant inhibitory activity against enzymes such as protein kinases and phosphatases, which are implicated in cancer and inflammatory disorders.

In another study published in the Bioorganic & Medicinal Chemistry Letters (2021), scientists explored the use of 3-bromo-4-nitropyridine 1-oxide as a scaffold for the design of novel antiviral agents. The research team synthesized a series of derivatives and evaluated their antiviral activity against several viruses, including influenza and herpes simplex virus. The results showed that certain derivatives exhibited promising antiviral activity, suggesting potential applications in the development of new antiviral drugs.

The versatility of 3-bromo-4-nitropyridine 1-oxide extends beyond its use as an intermediate in drug synthesis. It has also been investigated for its potential as a probe molecule in biological studies. A study published in the Biochemical Journal (2020) utilized this compound to investigate the mechanism of action of specific enzymes involved in cellular signaling pathways. The researchers found that 3-bromo-4-nitropyridine 1-oxide-based probes could effectively label and inhibit these enzymes, providing valuable insights into their function and regulation.

The synthesis of 3-bromo-4-nitropyridine 1-oxide has been well-documented in the literature. One common method involves the oxidation of 3-bromo-4-nitropyridine using an oxidizing agent such as hydrogen peroxide or m-chloroperbenzoic acid (mCPBA). This reaction is typically carried out under mild conditions to ensure high yields and purity. The resulting product can be further functionalized through various chemical transformations to produce a wide range of derivatives with diverse biological activities.

In addition to its applications in medicinal chemistry, 3-bromo-4-nitropyridine 1-oxide has also been studied for its potential use in materials science. Research published in the Journal of Materials Chemistry C (2021) explored the use of this compound as a building block for the synthesis of functional materials with unique optical and electronic properties. The researchers found that derivatives of 3-bromo-4-nitropyridine 1-oxide could be used to create materials with tunable properties, making them suitable for applications such as organic electronics and photovoltaic devices.

The safety profile of 3-bromo-4-nitropyridine 1-oxide is an important consideration for its use in both research and industrial settings. While it is not classified as a hazardous material, proper handling and storage procedures should be followed to ensure safety. Researchers should adhere to standard laboratory practices, including the use of personal protective equipment (PPE) and proper waste disposal methods.

In conclusion, 3-bromo-4-nitropyridine 1-oxide (CAS No. 1678-49-5) is a multifaceted compound with significant potential in various fields, including medicinal chemistry, pharmaceutical research, biological studies, and materials science. Its unique chemical structure and reactivity make it a valuable tool for the development of new drugs, therapeutic agents, and functional materials. Ongoing research continues to uncover new applications and insights into its properties, further highlighting its importance in modern scientific endeavors.

Recommended suppliers
Amadis Chemical Company Limited
(CAS:1678-49-5)3-bromo-4-nitropyridine 1-oxide
A810912
Purity:99%/99%
Quantity:50.0g/100.0g
Price ($):247.0/430.0
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