Cas no 254887-17-7 (4-Bromo-1-methyl-2-(methylsulfonyl)benzene)
4-Bromo-1-methyl-2-(methylsulfonyl)benzene Chemical and Physical Properties
Names and Identifiers
-
- Benzene,4-bromo-1-methyl-2-(methylsulfonyl)-
- 4-bromo-1-methyl-2-(methylsulfonyl)benzene
- 1-bromo-3-methanesulfonyl-4-methylbenzene
- 4-bromo-1-methyl-2-(methylsulphonyl)benzene
- 4-bromo-2-methanesulfonyl-1-methyl-benzene
- AC1MC42T
- Ambpe2008080
- CTK4F5901
- SBB100532
- SureCN265203
- FS-1750
- A877572
- 4-bromo-1-methyl-2-methylsulfonylbenzene
- MFCD04037925
- (S)-methyl?5-oxotetrahydrofuran-2-carboxylate
- SRYXZVWRMOFVCO-UHFFFAOYSA-N
- DTXSID70375510
- D94950
- SCHEMBL265203
- FT-0676959
- 4-Bromo-2-(methylsulfonyl)toluene
- 254887-17-7
- AKOS015835542
- CS-0153571
- EN300-7372496
- 4-bromo-2-methanesulfonyl-1-methylbenzene
- DB-006682
- 4-Bromo-1-methyl-2-(methylsulfonyl)benzene
-
- MDL: MFCD04037925
- Inchi: 1S/C8H9BrO2S/c1-6-3-4-7(9)5-8(6)12(2,10)11/h3-5H,1-2H3
- InChI Key: SRYXZVWRMOFVCO-UHFFFAOYSA-N
- SMILES: BrC1C=CC(C)=C(C=1)S(C)(=O)=O
Computed Properties
- Exact Mass: 247.95067
- Monoisotopic Mass: 247.951
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 242
- 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
- Topological Polar Surface Area: 42.5A^2
- XLogP3: 2.2
Experimental Properties
- Density: 1.522
- Melting Point: 92-94°C
- Boiling Point: 378.8°Cat760mmHg
- Flash Point: 182.9°C
- Refractive Index: 1.555
- PSA: 34.14
4-Bromo-1-methyl-2-(methylsulfonyl)benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 023619-250mg |
4-Bromo-1-methyl-2-(methylsulfonyl)benzene |
254887-17-7 | 95%+ | 250mg |
£24.00 | 2022-02-28 | |
| Fluorochem | 023619-1g |
4-Bromo-1-methyl-2-(methylsulfonyl)benzene |
254887-17-7 | 95%+ | 1g |
£87.00 | 2022-02-28 | |
| Fluorochem | 023619-5g |
4-Bromo-1-methyl-2-(methylsulfonyl)benzene |
254887-17-7 | 95%+ | 5g |
£260.00 | 2022-02-28 | |
| Fluorochem | 023619-10g |
4-Bromo-1-methyl-2-(methylsulfonyl)benzene |
254887-17-7 | 95%+ | 10g |
£497.00 | 2022-02-28 | |
| Alichem | A019089051-10g |
4-Bromo-1-methyl-2-(methylsulfonyl)benzene |
254887-17-7 | 95% | 10g |
$418.95 | 2023-09-02 | |
| Alichem | A019089051-25g |
4-Bromo-1-methyl-2-(methylsulfonyl)benzene |
254887-17-7 | 95% | 25g |
$813.96 | 2023-09-02 | |
| TRC | B808070-10mg |
4-Bromo-1-methyl-2-(methylsulfonyl)benzene |
254887-17-7 | 10mg |
$ 50.00 | 2022-06-06 | ||
| TRC | B808070-50mg |
4-Bromo-1-methyl-2-(methylsulfonyl)benzene |
254887-17-7 | 50mg |
$ 65.00 | 2022-06-06 | ||
| TRC | B808070-100mg |
4-Bromo-1-methyl-2-(methylsulfonyl)benzene |
254887-17-7 | 100mg |
$ 80.00 | 2022-06-06 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 009322-500mg |
4-Bromo-1-methyl-2-(methylsulfonyl)benzene |
254887-17-7 | 500mg |
730.0CNY | 2021-07-13 |
4-Bromo-1-methyl-2-(methylsulfonyl)benzene Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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4. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
Additional information on 4-Bromo-1-methyl-2-(methylsulfonyl)benzene
Introduction to 4-Bromo-1-methyl-2-(methylsulfonyl)benzene (CAS No. 254887-17-7)
4-Bromo-1-methyl-2-(methylsulfonyl)benzene (CAS No. 254887-17-7) is a versatile organic compound that has garnered significant attention in the fields of medicinal chemistry and materials science. This compound, characterized by its unique structural features, has been the subject of numerous studies due to its potential applications in drug discovery and advanced materials development.
The molecular structure of 4-Bromo-1-methyl-2-(methylsulfonyl)benzene consists of a benzene ring substituted with a bromo group at the 4-position, a methyl group at the 1-position, and a methylsulfonyl group at the 2-position. These functional groups contribute to the compound's reactivity and stability, making it an attractive starting material for various synthetic transformations.
In recent years, 4-Bromo-1-methyl-2-(methylsulfonyl)benzene has been extensively studied for its potential in the development of novel pharmaceuticals. One notable application is in the synthesis of selective serotonin reuptake inhibitors (SSRIs), which are widely used to treat depression and anxiety disorders. The bromo and methylsulfonyl groups provide key functionalities that can be modified to enhance the pharmacological properties of these compounds.
Beyond its role in pharmaceutical research, 4-Bromo-1-methyl-2-(methylsulfonyl)benzene has also found applications in materials science. Its unique electronic properties make it suitable for use in organic electronics, such as organic light-emitting diodes (OLEDs) and organic photovoltaics (OPVs). The bromo group can be readily substituted with other functional groups, allowing for fine-tuning of the material's electronic and optical properties.
The synthesis of 4-Bromo-1-methyl-2-(methylsulfonyl)benzene typically involves several steps, including bromination, methylation, and sulfonylation. These reactions are well-documented in the literature and can be optimized for large-scale production. The choice of solvents and catalysts plays a crucial role in achieving high yields and purity levels.
In terms of safety and handling, 4-Bromo-1-methyl-2-(methylsulfonyl)benzene should be stored in a cool, dry place away from incompatible materials. It is important to follow standard laboratory safety protocols when working with this compound to ensure the well-being of researchers and the integrity of experimental results.
The environmental impact of 4-Bromo-1-methyl-2-(methylsulfonyl)benzene is another important consideration. Efforts are being made to develop greener synthetic methods that minimize waste and reduce the use of hazardous reagents. Sustainable practices in chemical synthesis are becoming increasingly important as the industry strives to meet environmental regulations and consumer demands for eco-friendly products.
In conclusion, 4-Bromo-1-methyl-2-(methylsulfonyl)benzene (CAS No. 254887-17-7) is a multifaceted compound with significant potential in both pharmaceutical and materials science applications. Its unique structural features make it a valuable starting material for a wide range of synthetic transformations. Ongoing research continues to uncover new uses and improvements in its synthesis, contributing to its growing importance in various scientific fields.
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