Cas no 898784-67-3 (1-(2-bromophenyl)-2-(3-fluorophenyl)ethanone)
1-(2-bromophenyl)-2-(3-fluorophenyl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- 2'-BROMO-2-(3-FLUOROPHENYL)ACETOPHENONE
- 1-(2-bromophenyl)-2-(3-fluorophenyl)ethanone
- LogP
- 898784-67-3
- AKOS010313559
- 1-(2-Bromophenyl)-2-(3-fluorophenyl)ethan-1-one
- DTXSID40642342
- MFCD02260759
-
- MDL: MFCD02260759
- Inchi: 1S/C14H10BrFO/c15-13-7-2-1-6-12(13)14(17)9-10-4-3-5-11(16)8-10/h1-8H,9H2
- InChI Key: BRRUUDGMKKHTDB-UHFFFAOYSA-N
- SMILES: BrC1C=CC=CC=1C(CC1C=CC=C(C=1)F)=O
Computed Properties
- Exact Mass: 291.99000
- Monoisotopic Mass: 291.98991Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 269
- 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: 4
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- PSA: 17.07000
- LogP: 4.01360
1-(2-bromophenyl)-2-(3-fluorophenyl)ethanone Customs Data
- HS CODE:2914700090
- Customs Data:
China Customs Code:
2914700090Overview:
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%
1-(2-bromophenyl)-2-(3-fluorophenyl)ethanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 203819-1g |
2'-Bromo-2-(3-fluorophenyl)acetophenone |
898784-67-3 | 97% | 1g |
£424.00 | 2022-03-01 | |
| Fluorochem | 203819-2g |
2'-Bromo-2-(3-fluorophenyl)acetophenone |
898784-67-3 | 97% | 2g |
£672.00 | 2022-03-01 | |
| Fluorochem | 203819-5g |
2'-Bromo-2-(3-fluorophenyl)acetophenone |
898784-67-3 | 97% | 5g |
£1447.00 | 2022-03-01 | |
| A2B Chem LLC | AH88991-1g |
2'-Bromo-2-(3-fluorophenyl)acetophenone |
898784-67-3 | 97% | 1g |
$516.00 | 2024-04-19 | |
| A2B Chem LLC | AH88991-2g |
2'-Bromo-2-(3-fluorophenyl)acetophenone |
898784-67-3 | 97% | 2g |
$790.00 | 2024-04-19 | |
| A2B Chem LLC | AH88991-5g |
2'-Bromo-2-(3-fluorophenyl)acetophenone |
898784-67-3 | 97% | 5g |
$1650.00 | 2024-04-19 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1658573-1g |
1-(2-Bromophenyl)-2-(3-fluorophenyl)ethan-1-one |
898784-67-3 | 98% | 1g |
¥6058.00 | 2024-04-26 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1658573-2g |
1-(2-Bromophenyl)-2-(3-fluorophenyl)ethan-1-one |
898784-67-3 | 98% | 2g |
¥8317.00 | 2024-04-26 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1658573-5g |
1-(2-Bromophenyl)-2-(3-fluorophenyl)ethan-1-one |
898784-67-3 | 98% | 5g |
¥16539.00 | 2024-04-26 |
1-(2-bromophenyl)-2-(3-fluorophenyl)ethanone Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
Additional information on 1-(2-bromophenyl)-2-(3-fluorophenyl)ethanone
Comprehensive Overview of 1-(2-Bromophenyl)-2-(3-Fluorophenyl)Ethanone (CAS No. 898784-67-3)
1-(2-Bromophenyl)-2-(3-fluorophenyl)ethanone (CAS No. 898784-67-3) is a specialized organic compound featuring a unique molecular structure combining bromine and fluorine substituents on aromatic rings. This brominated fluorinated ketone derivative has garnered significant attention in pharmaceutical and materials science research due to its potential as a versatile building block. The compound's dual-functional aromatic system enables diverse reactivity patterns, making it valuable for synthesizing complex molecules. Researchers particularly value its electron-withdrawing properties imparted by the bromine and fluorine atoms, which influence reaction pathways in organic transformations.
In recent years, scientific interest in halogenated aromatic ketones like 1-(2-bromophenyl)-2-(3-fluorophenyl)ethanone has surged, driven by their applications in drug discovery and material engineering. The compound's structural motif appears in several investigational compounds targeting neurological disorders and inflammatory conditions. Its molecular architecture allows for precise modifications, addressing current challenges in developing selective enzyme inhibitors and receptor modulators. The presence of both bromine and fluorine creates interesting electronic effects that researchers are exploring for designing novel bioactive molecules with improved pharmacokinetic properties.
The synthesis and applications of CAS 898784-67-3 have become frequent topics in organic chemistry forums and research publications. Many queries focus on its purification methods, stability under various conditions, and optimal storage protocols to maintain integrity. Analytical chemists emphasize the importance of proper spectroscopic characterization (including NMR and mass spectrometry) when working with this compound, as its structural isomers can present identification challenges. Recent advancements in catalytic cross-coupling reactions have further increased demand for such halogen-containing intermediates in synthetic routes.
From a materials science perspective, 1-(2-bromophenyl)-2-(3-fluorophenyl)ethanone serves as a precursor for developing advanced organic electronic materials. Its incorporation into π-conjugated systems has shown promise for creating novel semiconducting polymers with tunable properties. Researchers are particularly interested in how the bromine-fluorine interaction affects charge transport characteristics in these materials. This aligns with current industry trends toward developing more efficient organic light-emitting diodes (OLEDs) and photovoltaic materials for sustainable energy applications.
Quality control represents another critical aspect of working with 898784-67-3. Reputable suppliers provide detailed certificates of analysis documenting parameters like purity levels, residual solvent content, and heavy metal impurities. The compound's handling requirements emphasize protection from moisture and light to prevent degradation. These protocols reflect growing industry standards for research-grade chemicals used in sensitive applications. Proper waste disposal methods for halogenated compounds like this one have also become increasingly important in light of environmental regulations.
Emerging research directions for 1-(2-bromophenyl)-2-(3-fluorophenyl)ethanone include exploring its potential in metal-organic frameworks (MOFs) and as a ligand in transition metal catalysis. The compound's chelation capabilities and steric effects make it interesting for designing asymmetric catalysts. Additionally, its photophysical properties are being investigated for potential applications in fluorescence-based sensors and imaging probes. These diverse applications demonstrate why this compound remains a focus of innovation across multiple scientific disciplines.
For researchers sourcing CAS 898784-67-3, understanding its structure-activity relationships proves crucial for project success. The ortho-bromo substitution influences reactivity differently than meta or para positions, while the fluorine atom's position on the second phenyl ring affects electronic distribution. Such structural nuances explain why this specific regioisomer has distinct advantages over similar compounds in certain synthetic applications. These characteristics make it valuable for creating molecular libraries in drug discovery programs seeking compounds with specific pharmacophore features.
The commercial availability of 1-(2-bromophenyl)-2-(3-fluorophenyl)ethanone has expanded significantly to meet growing research demand. Suppliers now offer various packaging options ranging from milligram quantities for initial screening to kilogram scales for process development. Current market trends show increasing requests for custom synthesis services involving this compound, particularly for creating derivative libraries with modified functional groups. This reflects broader movements toward fragment-based drug design and diversity-oriented synthesis in pharmaceutical research.
Analytical techniques for characterizing 898784-67-3 continue to advance, with modern high-resolution mass spectrometry and multidimensional NMR providing unprecedented structural insights. These methods help researchers confirm the compound's identity and monitor its stability during storage and reactions. The scientific community has developed specialized chromatographic methods for analyzing this compound's purity, particularly important when it serves as a key intermediate in multistep syntheses. Such analytical rigor supports the compound's use in regulated research environments where quality assurance standards are paramount.
Looking forward, 1-(2-bromophenyl)-2-(3-fluorophenyl)ethanone will likely maintain its importance in chemical research due to its versatile reactivity profile. Ongoing studies explore its potential in click chemistry applications and as a building block for bioconjugates. The compound's ability to participate in diverse carbon-carbon bond forming reactions while maintaining its distinctive electronic properties ensures its continued relevance. As synthetic methodologies evolve, this bifunctional aromatic ketone will undoubtedly find new applications at the intersection of chemistry, biology, and materials science.
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