Cas no 215732-90-4 (1-(chloromethyl)-3-(trifluoromethyl)sulfanylbenzene)
1-(chloromethyl)-3-(trifluoromethyl)sulfanylbenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-(chloromethyl)-3-(trifluoromethylsulfanyl)benzene
- 3-(Trifluoromethylthio)benzyl chloride
- 3-[(TRIFLUOROMETHYL)THIO]BENZYL CHLORIDE
- Benzene,1-(chloromethyl)-3-[(trifluoromethyl)thio]-
- 3-< (trifluoromethyl)thio> benzyl chloride
- 3-trifluoromethyl-sulfanylbenzyl chloride
- AC1MCS1Z
- CTK4E7166
- PC3236
- SBB097033
- SureCN934510
- 1-(chloromethyl)-3-(trifluoromethyl)sulfanylbenzene
- 215732-90-4
- 1-(chloromethyl)-3-[(trifluoromethyl)sulfanyl]benzene
- SCHEMBL934510
- MFCD00792422
- CS-0238297
- DTXSID00380697
- EN300-1929075
- (3-(chloromethyl)phenyl)(trifluoromethyl)sulfane
-
- Inchi: 1S/C8H6ClF3S/c9-5-6-2-1-3-7(4-6)13-8(10,11)12/h1-4H,5H2
- InChI Key: DMFKZZXVNAKILD-UHFFFAOYSA-N
- SMILES: ClCC1C=CC=C(C=1)SC(F)(F)F
Computed Properties
- Exact Mass: 225.98318
- Monoisotopic Mass: 225.9830835g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 160
- 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: 4.4
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- Density: 1.38
- Boiling Point: 183.8°Cat760mmHg
- Flash Point: 65°C
- Refractive Index: 1.511
- PSA: 0
1-(chloromethyl)-3-(trifluoromethyl)sulfanylbenzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A2B Chem LLC | AD27203-50mg |
Benzene,1-(chloromethyl)-3-[(trifluoromethyl)thio]- |
215732-90-4 | 95% | 50mg |
$415.00 | 2024-04-20 | |
| A2B Chem LLC | AD27203-100mg |
Benzene,1-(chloromethyl)-3-[(trifluoromethyl)thio]- |
215732-90-4 | 95% | 100mg |
$520.00 | 2024-04-20 | |
| Enamine | EN300-1929075-0.05g |
1-(chloromethyl)-3-[(trifluoromethyl)sulfanyl]benzene |
215732-90-4 | 95% | 0.05g |
$182.0 | 2023-09-17 | |
| Enamine | EN300-1929075-0.1g |
1-(chloromethyl)-3-[(trifluoromethyl)sulfanyl]benzene |
215732-90-4 | 95% | 0.1g |
$272.0 | 2023-09-17 | |
| Enamine | EN300-1929075-0.25g |
1-(chloromethyl)-3-[(trifluoromethyl)sulfanyl]benzene |
215732-90-4 | 95% | 0.25g |
$389.0 | 2023-09-17 | |
| Enamine | EN300-1929075-0.5g |
1-(chloromethyl)-3-[(trifluoromethyl)sulfanyl]benzene |
215732-90-4 | 95% | 0.5g |
$613.0 | 2023-09-17 | |
| Enamine | EN300-1929075-1.0g |
1-(chloromethyl)-3-[(trifluoromethyl)sulfanyl]benzene |
215732-90-4 | 95% | 1g |
$785.0 | 2023-06-02 | |
| Enamine | EN300-1929075-2.5g |
1-(chloromethyl)-3-[(trifluoromethyl)sulfanyl]benzene |
215732-90-4 | 95% | 2.5g |
$1539.0 | 2023-09-17 | |
| Enamine | EN300-1929075-5.0g |
1-(chloromethyl)-3-[(trifluoromethyl)sulfanyl]benzene |
215732-90-4 | 95% | 5g |
$2277.0 | 2023-06-02 | |
| Enamine | EN300-1929075-10.0g |
1-(chloromethyl)-3-[(trifluoromethyl)sulfanyl]benzene |
215732-90-4 | 95% | 10g |
$3376.0 | 2023-06-02 |
1-(chloromethyl)-3-(trifluoromethyl)sulfanylbenzene Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
Additional information on 1-(chloromethyl)-3-(trifluoromethyl)sulfanylbenzene
Introduction to 1-(Chloromethyl)-3-(Trifluoromethyl)sulfanylbenzene (CAS No. 215732-90-4)
1-(Chloromethyl)-3-(trifluoromethyl)sulfanylbenzene, with the CAS number 215732-90-4, is a synthetic organic compound that has garnered significant attention in recent years due to its unique chemical structure and potential applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound is characterized by the presence of a chloromethyl group and a trifluoromethyl sulfanyl group attached to a benzene ring, which imparts specific chemical properties and reactivity.
The molecular formula of 1-(chloromethyl)-3-(trifluoromethyl)sulfanylbenzene is C9H6ClF3S, and its molecular weight is approximately 246.69 g/mol. The compound is typically a colorless liquid at room temperature and exhibits moderate solubility in common organic solvents such as dichloromethane, acetone, and ethanol. Its physical and chemical properties make it a valuable intermediate in the synthesis of more complex molecules.
In the realm of pharmaceutical research, 1-(chloromethyl)-3-(trifluoromethyl)sulfanylbenzene has been explored for its potential as a building block in the development of new drugs. The presence of the trifluoromethyl group can enhance the metabolic stability and lipophilicity of drug candidates, which are crucial factors in drug design. Additionally, the chloromethyl group can serve as a reactive site for further functionalization, allowing for the introduction of various substituents to fine-tune the pharmacological properties of the final product.
Recent studies have highlighted the utility of 1-(chloromethyl)-3-(trifluoromethyl)sulfanylbenzene in the synthesis of novel antiviral agents. For instance, researchers at the University of California, San Francisco, have reported the use of this compound as a key intermediate in the development of inhibitors targeting viral proteases. These inhibitors have shown promising results in preclinical studies against several viral infections, including influenza and coronaviruses. The ability to modulate viral replication through targeted inhibition is a significant step forward in antiviral therapy.
Beyond pharmaceutical applications, 1-(chloromethyl)-3-(trifluoromethyl)sulfanylbenzene has also found use in materials science. The unique combination of functional groups makes it an attractive candidate for the synthesis of advanced materials with tailored properties. For example, researchers at MIT have utilized this compound to develop new types of polymer coatings with enhanced thermal stability and chemical resistance. These coatings have potential applications in industries such as aerospace, automotive, and electronics.
In the field of chemical synthesis, 1-(chloromethyl)-3-(trifluoromethyl)sulfanylbenzene serves as a versatile reagent for constructing complex molecular architectures. Its reactivity has been exploited in various synthetic transformations, including nucleophilic substitution reactions and cross-coupling reactions. These reactions are fundamental to organic synthesis and are widely used in both academic research and industrial processes.
The environmental impact of chemicals is an important consideration in their development and application. Studies on the environmental fate and toxicity of 1-(chloromethyl)-3-(trifluoromethyl)sulfanylbenzene are ongoing to ensure its safe use. Preliminary data suggest that this compound has low toxicity to aquatic organisms and does not persist in the environment for extended periods. However, continued monitoring and assessment are necessary to fully understand its long-term effects.
In conclusion, 1-(chloromethyl)-3-(trifluoromethyl)sulfanylbenzene (CAS No. 215732-90-4) is a multifaceted compound with a wide range of applications across various scientific disciplines. Its unique chemical structure provides a foundation for innovative research and development in pharmaceuticals, materials science, and chemical synthesis. As ongoing studies continue to uncover new possibilities, this compound is likely to play an increasingly important role in advancing scientific knowledge and technological innovation.
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