Cas no 435273-49-7 (2-Bromo-1-(3-bromo-4-fluorophenyl)ethanone)
2-Bromo-1-(3-bromo-4-fluorophenyl)ethanone Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2-bromo-1-(3-bromo-4-fluorophenyl)-
- 2,3'-DIBROMO-4'-FLUOROACETOPHENONE
- 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone
- 3'-BROMO-4'-FLUOROPHENACYL BROMIDE
- 2,3′-DibroMo-4′-fluoroacetophenone
- NVCNENXQUDVWRV-UHFFFAOYSA-N
- MFCD07368759
- 2,3'-Dibromo-4'-fluoroacetophenone, 97%
- SCHEMBL3162903
- 435273-49-7
- PS-9974
- DTXSID40382291
- 2-bromo-1-(3-bromo-4-fluorophenyl) ethanone
- 2-Bromo-1-(3-bromo-4-fluoro-phenyl)-ethanone
- 2,3 inverted exclamation mark -Dibromo-4 inverted exclamation mark -fluoroacetophenone
- 2,3'-Dibromo-4-fluoroacetophenone
- 3-Bromo-4-fluorophenacyl bromide
- AKOS009158095
- 2,3 inverted exclamation marka-Dibromo-4 inverted exclamation marka-fluoroacetophenone
- CS-0186563
- SY266065
- F20940
- 2-Bromo-1-(3-bromo-4-fluorophenyl)ethanone
-
- MDL: MFCD07368759
- Inchi: 1S/C8H5Br2FO/c9-4-8(12)5-1-2-7(11)6(10)3-5/h1-3H,4H2
- InChI Key: NVCNENXQUDVWRV-UHFFFAOYSA-N
- SMILES: BrC1=C(C=CC(C(CBr)=O)=C1)F
Computed Properties
- Exact Mass: 295.867
- Monoisotopic Mass: 293.869
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 174
- 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: 3.2
- Topological Polar Surface Area: 17.1?2
Experimental Properties
- Density: 2.042
- Melting Point: 48-52?°C
- Boiling Point: 300.2°C at 760 mmHg
- Flash Point: Degrees Fahrenheit:>230°F
Degrees Celsius:>110°C - Refractive Index: 1.597
2-Bromo-1-(3-bromo-4-fluorophenyl)ethanone Security Information
-
Symbol:
- Signal Word:Warning
- Hazard Statement: H315-H319-H335
- Warning Statement: P261-P305+P351+P338
- Hazardous Material transportation number:UN 3335
- WGK Germany:3
- Hazard Category Code: 36/37/38
- Safety Instruction: 26-37/39
-
Hazardous Material Identification:
- Storage Condition:2-8°C
2-Bromo-1-(3-bromo-4-fluorophenyl)ethanone Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A013015420-250mg |
2',3'-Dibromo-4'-fluoroacetophenone |
435273-49-7 | 97% | 250mg |
$475.20 | 2023-09-01 | |
| Alichem | A013015420-500mg |
2',3'-Dibromo-4'-fluoroacetophenone |
435273-49-7 | 97% | 500mg |
$839.45 | 2023-09-01 | |
| Alichem | A013015420-1g |
2',3'-Dibromo-4'-fluoroacetophenone |
435273-49-7 | 97% | 1g |
$1445.30 | 2023-09-01 | |
| TRC | B687878-50mg |
2-Bromo-1-(3-bromo-4-fluorophenyl)ethanone |
435273-49-7 | 50mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B687878-100mg |
2-Bromo-1-(3-bromo-4-fluorophenyl)ethanone |
435273-49-7 | 100mg |
$ 65.00 | 2022-06-06 | ||
| TRC | B687878-500mg |
2-Bromo-1-(3-bromo-4-fluorophenyl)ethanone |
435273-49-7 | 500mg |
$ 80.00 | 2022-06-06 | ||
| XI GE MA AO DE LI QI ( SHANG HAI ) MAO YI Co., Ltd. | 669458-1G |
2-Bromo-1-(3-bromo-4-fluorophenyl)ethanone |
435273-49-7 | 97% | 1G |
¥836.87 | 2022-02-24 | |
| Apollo Scientific | PC5429-1g |
3-Bromo-4-fluorophenacyl bromide |
435273-49-7 | 1g |
£16.00 | 2025-02-21 | ||
| Apollo Scientific | PC5429-5g |
3-Bromo-4-fluorophenacyl bromide |
435273-49-7 | 5g |
£45.00 | 2025-02-21 | ||
| Apollo Scientific | PC5429-25g |
3-Bromo-4-fluorophenacyl bromide |
435273-49-7 | 25g |
£208.00 | 2025-02-21 |
2-Bromo-1-(3-bromo-4-fluorophenyl)ethanone Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Mei Zhang,Jingjing Guo,Tingting Liu,Zhanyu He,Majeed Irfan,Zujin Zhao,Zhuo Zeng J. Mater. Chem. C, 2020,8, 14919-14924
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
Additional information on 2-Bromo-1-(3-bromo-4-fluorophenyl)ethanone
2-Bromo-1-(3-bromo-4-fluorophenyl)ethanone (CAS 435273-49-7): A Versatile Chemical Intermediate for Modern Applications
2-Bromo-1-(3-bromo-4-fluorophenyl)ethanone (CAS 435273-49-7) is a specialized organic compound that has gained significant attention in pharmaceutical and material science research. This brominated fluorophenyl ethanone derivative serves as a crucial building block for synthesizing complex molecules, particularly in drug discovery and advanced material development.
The molecular structure of 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone features two strategically positioned bromine atoms and a fluorine substituent, making it an excellent candidate for various coupling reactions. Researchers particularly value its 3-bromo-4-fluorophenyl moiety, which enables precise modifications in target molecules. Current trends in AI-assisted drug discovery and green chemistry have increased interest in such halogenated intermediates that offer both reactivity and selectivity.
In pharmaceutical applications, this compound serves as a precursor for developing small molecule therapeutics targeting various diseases. The presence of both bromine substituents and the fluorine atom allows for diverse structural modifications, making it valuable in creating libraries of bioactive compounds. Recent publications highlight its use in developing potential kinase inhibitors and other targeted therapies.
The material science field utilizes 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone in designing advanced organic electronic materials. Its molecular architecture contributes to the development of organic semiconductors and photovoltaic materials, addressing current demands for sustainable energy solutions. The compound's ability to participate in cross-coupling reactions makes it particularly useful in creating conjugated polymers with tailored electronic properties.
From a synthetic chemistry perspective, CAS 435273-49-7 offers multiple advantages. The α-bromo ketone functionality provides an excellent handle for nucleophilic substitutions, while the aromatic bromine atoms enable various transition metal-catalyzed coupling reactions. These features align well with modern C-H activation strategies and atom-economical synthesis approaches that dominate current research trends.
Quality control of 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone typically involves advanced analytical techniques such as HPLC, GC-MS, and NMR spectroscopy. The compound's purity is crucial for its applications, especially in pharmaceutical contexts where process chemistry and quality by design principles are paramount. Recent advancements in analytical chemistry AI tools have improved the characterization and quality assessment of such specialized intermediates.
The market for brominated fluorophenyl compounds like CAS 435273-49-7 has grown steadily, driven by increasing demand in both pharmaceutical and material science sectors. Suppliers now offer various packaging options and purity grades to meet diverse research needs, from milligram-scale discovery research to kilogram-scale process development. The compound's stability and well-documented handling procedures make it accessible to researchers worldwide.
Environmental considerations for 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone focus on proper waste management and sustainable synthesis approaches. The chemical industry continues to develop greener bromination methods and catalytic processes to minimize environmental impact while maintaining the compound's valuable reactivity profile. These efforts align with global green chemistry initiatives and sustainable development goals.
Future research directions for 435273-49-7 include exploring its potential in click chemistry applications and as a building block for metal-organic frameworks (MOFs). The compound's unique combination of halogen substituents positions it well for these emerging applications, particularly in developing advanced materials for gas storage and separation technologies.
For researchers working with 2-bromo-1-(3-bromo-4-fluorophenyl)ethanone, proper storage conditions (typically cool, dry environments) and handling procedures ensure optimal stability and performance. While not classified as hazardous under normal research conditions, standard laboratory safety protocols should always be followed when working with this or any chemical substance.
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