Cas no 94402-42-3 (2-Bromo-1-(2-phenoxyphenyl)ethanone)

2-Bromo-1-(2-phenoxyphenyl)ethanone structure
94402-42-3 structure
Product Name:2-Bromo-1-(2-phenoxyphenyl)ethanone
CAS No:94402-42-3
MF:C14H11BrO2
MW:291.139943361282
MDL:MFCD08435906
CID:798586
Update Time:2025-04-24

2-Bromo-1-(2-phenoxyphenyl)ethanone Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-1-(2-phenoxyphenyl)ethanone
    • Ethanone,2-bromo-1-(2-phenoxyphenyl)-
    • MDL: MFCD08435906
    • Inchi: 1S/C14H11BrO2/c15-10-13(16)12-8-4-5-9-14(12)17-11-6-2-1-3-7-11/h1-9H,10H2
    • InChI Key: UWRDQDVDGPRCKR-UHFFFAOYSA-N
    • SMILES: BrCC(C1C=CC=CC=1OC1C=CC=CC=1)=O

Computed Properties

  • Exact Mass: 289.99400
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4

Experimental Properties

  • PSA: 26.30000
  • LogP: 4.05650

2-Bromo-1-(2-phenoxyphenyl)ethanone Customs Data

  • HS CODE:2914700090
  • Customs Data:

    China Customs Code:

    2914700090

    Overview:

    2914700090 Halogenation of other ketones and quinones\Sulfonated derivative(Including nitrated and nitrosative derivatives). VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to, Acetone declared packaging

    Summary:

    HS: 2914700090 halogenated, sulphonated, nitrated or nitrosated derivatives of ketones and quinones, whether or not with other oxygen function Tax rebate rate:9.0% Supervision conditions:none VAT:17.0% MFN tariff:5.5% General tariff:30.0%

2-Bromo-1-(2-phenoxyphenyl)ethanone Pricemore >>

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Additional information on 2-Bromo-1-(2-phenoxyphenyl)ethanone

2-Bromo-1-(2-phenoxyphenyl)ethanone (CAS 94402-42-3): A Versatile Chemical Building Block for Modern Applications

2-Bromo-1-(2-phenoxyphenyl)ethanone (CAS 94402-42-3) is an important organic compound that has gained significant attention in chemical research and industrial applications. This bromo-substituted aromatic ketone features a unique molecular structure combining a phenoxy group with a bromoacetyl moiety, making it a valuable intermediate in various synthetic pathways.

The compound's molecular formula is C14H11BrO2, with a molecular weight of 291.14 g/mol. Its structural features include a 2-phenoxyphenyl group attached to a bromoacetyl functional group, which contributes to its reactivity and utility in organic synthesis. The presence of both electron-donating (phenoxy) and electron-withdrawing (carbonyl and bromo) groups creates interesting electronic properties that researchers can exploit for selective chemical transformations.

In recent years, 2-Bromo-1-(2-phenoxyphenyl)ethanone has emerged as a key building block in pharmaceutical research, particularly in the development of novel heterocyclic compounds. Its ability to participate in various coupling reactions makes it valuable for creating biologically active molecules. Many researchers are investigating its potential in designing new antimicrobial agents and enzyme inhibitors, addressing current challenges in drug-resistant infections and metabolic disorders.

The compound's applications extend beyond pharmaceuticals. In material science, 2-Bromo-1-(2-phenoxyphenyl)ethanone serves as a precursor for photoactive materials and organic semiconductors. Its aromatic structure and bromine substitution make it suitable for creating π-conjugated systems used in organic light-emitting diodes (OLEDs) and photovoltaic devices. This aligns with the growing demand for sustainable energy solutions and eco-friendly electronic materials.

From a synthetic chemistry perspective, CAS 94402-42-3 offers several advantages. The bromoacetyl group readily undergoes nucleophilic substitution reactions, allowing for the introduction of various functional groups. Meanwhile, the phenoxy phenyl moiety provides stability and influences the compound's solubility properties. These characteristics make it particularly useful in multistep organic synthesis and combinatorial chemistry approaches.

Recent studies have explored the use of 2-Bromo-1-(2-phenoxyphenyl)ethanone in click chemistry applications, where its reactivity enables efficient construction of complex molecular architectures. This has implications for drug discovery and bioconjugation techniques, addressing current needs in targeted drug delivery and diagnostic probe development.

Quality control of 2-Bromo-1-(2-phenoxyphenyl)ethanone typically involves analytical techniques such as HPLC, GC-MS, and NMR spectroscopy. The compound generally appears as a white to off-white crystalline powder with high purity grades available for research purposes. Proper storage conditions (typically at 2-8°C in a dry environment) help maintain its stability and shelf life.

The market for specialty chemicals like 2-Bromo-1-(2-phenoxyphenyl)ethanone has been growing steadily, driven by increasing R&D activities in pharmaceuticals and advanced materials. Manufacturers are focusing on green chemistry approaches to produce such intermediates more sustainably, responding to the chemical industry's emphasis on environmentally friendly processes.

Researchers working with CAS 94402-42-3 should consider its potential in structure-activity relationship studies, where modifications to its core structure can lead to compounds with varied biological or physical properties. The compound's versatility makes it particularly valuable in medicinal chemistry programs targeting various disease areas.

As the scientific community continues to explore novel applications for bromo-substituted aromatic ketones, 2-Bromo-1-(2-phenoxyphenyl)ethanone remains an important tool in synthetic chemistry. Its unique combination of reactivity and structural features positions it as a valuable intermediate for addressing current challenges in drug development, material science, and chemical biology.

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