Cas no 161987-10-6 (2-(4-Bromo-2-nitrophenyl)oxazole)

2-(4-Bromo-2-nitrophenyl)oxazole is a brominated nitrophenyl-substituted oxazole compound, primarily utilized as a versatile intermediate in organic synthesis and pharmaceutical research. Its distinct structure, featuring both bromo and nitro functional groups, enables selective reactivity in cross-coupling reactions, nucleophilic substitutions, and other transformations. The oxazole core enhances stability while providing a rigid scaffold for further derivatization. This compound is particularly valuable in the development of heterocyclic frameworks, agrochemicals, and bioactive molecules. High purity and well-defined reactivity make it a reliable choice for researchers requiring precise functionalization in complex synthetic pathways. Proper handling is advised due to potential sensitivity to light and moisture.
2-(4-Bromo-2-nitrophenyl)oxazole structure
161987-10-6 structure
Product Name:2-(4-Bromo-2-nitrophenyl)oxazole
CAS No:161987-10-6
MF:C9H5BrN2O3
MW:269.051601171494
CID:1081698
PubChem ID:71748454
Update Time:2025-06-10

2-(4-Bromo-2-nitrophenyl)oxazole Chemical and Physical Properties

Names and Identifiers

    • 2-(4-Bromo-2-nitrophenyl)oxazole
    • 2-(4-bromo-2-nitrophenyl)-1,3-oxazole
    • 161987-10-6
    • DTXSID40857555
    • Inchi: 1S/C9H5BrN2O3/c10-6-1-2-7(8(5-6)12(13)14)9-11-3-4-15-9/h1-5H
    • InChI Key: WCZJOBBXWWZYDK-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(C2=NC=CO2)=C(C=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 267.94800
  • Monoisotopic Mass: 267.94835g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 2
  • Complexity: 246
  • 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
  • XLogP3: 2.5
  • Topological Polar Surface Area: 71.8?2

Experimental Properties

  • Density: 1.695
  • Boiling Point: 376.319°C at 760 mmHg
  • Flash Point: 181.391°C
  • Refractive Index: 1.616
  • PSA: 71.85000
  • LogP: 3.53550

2-(4-Bromo-2-nitrophenyl)oxazole Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. 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

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

2-(4-Bromo-2-nitrophenyl)oxazole Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
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161987-10-6 95%
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Chemenu
CM191079-1g
2-(4-bromo-2-nitrophenyl)oxazole
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Additional information on 2-(4-Bromo-2-nitrophenyl)oxazole

Comprehensive Overview of 2-(4-Bromo-2-nitrophenyl)oxazole (CAS No. 161987-10-6)

2-(4-Bromo-2-nitrophenyl)oxazole (CAS No. 161987-10-6) is a specialized heterocyclic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural properties. The compound features an oxazole ring linked to a 4-bromo-2-nitrophenyl group, making it a valuable intermediate in organic synthesis. Researchers are particularly interested in its potential applications in drug discovery, material science, and catalysis. Its molecular formula, C9H5BrN2O3, highlights the presence of bromine and nitro functional groups, which are pivotal for further chemical modifications.

The growing demand for high-performance organic compounds in the pharmaceutical industry has led to increased searches for 2-(4-Bromo-2-nitrophenyl)oxazole synthesis and applications. This compound is often discussed in the context of cross-coupling reactions, a hot topic in modern organic chemistry. Its bromine substituent makes it an excellent candidate for palladium-catalyzed reactions, such as Suzuki-Miyaura or Buchwald-Hartwig couplings, which are widely used to construct complex molecular architectures. Additionally, the nitro group offers opportunities for reduction or substitution, further expanding its utility in medicinal chemistry.

In recent years, the bioactivity of oxazole derivatives has become a focal point for researchers exploring antimicrobial agents and anticancer drugs. While 2-(4-Bromo-2-nitrophenyl)oxazole itself is primarily a building block, its structural motifs are found in several FDA-approved drugs. This connection has spurred interest in its structure-activity relationships (SAR), a trending topic in computational chemistry and molecular docking studies. Users frequently search for oxazole-based drug candidates or nitrophenyl derivatives in drug design, aligning with the compound's relevance.

From a material science perspective, 2-(4-Bromo-2-nitrophenyl)oxazole is investigated for its potential in organic electronics, such as OLEDs or photovoltaic cells. The electron-withdrawing nitro group and bromine atom contribute to its charge transport properties, a key area of interest for next-generation semiconductors. Searches for nitrophenyl-oxazole conductivity or heterocyclic compounds in optoelectronics reflect this application. Its thermal stability and solubility profile also make it a candidate for polymeric materials.

For synthetic chemists, the purification methods and analytical characterization of 2-(4-Bromo-2-nitrophenyl)oxazole are critical discussion points. Techniques like HPLC, NMR spectroscopy, and mass spectrometry are commonly employed to ensure its purity, a topic frequently queried in chemical forums. The compound's storage conditions and handling precautions are also widely searched, emphasizing the need for proper laboratory safety protocols.

In summary, 2-(4-Bromo-2-nitrophenyl)oxazole (CAS No. 161987-10-6) is a versatile compound with broad applications in pharmaceuticals, agrochemicals, and advanced materials. Its relevance to green chemistry and sustainable synthesis further enhances its appeal, as industries seek eco-friendly intermediates. As research progresses, this compound is poised to play a pivotal role in addressing challenges across multiple scientific disciplines.

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