Cas no 239463-93-5 (2-(Triofluoromethylthio)benzyl Alcohol)
2-(Triofluoromethylthio)benzyl Alcohol Chemical and Physical Properties
Names and Identifiers
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- [2-(trifluoromethylsulfanyl)phenyl]methanol
- 2-(TrifluoroMethylthio)benzyl alcohol
- PC4769
- 2-(Triofluoromethylthio)benzyl Alcohol
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- Inchi: InChI=1S/C8H7F3OS/c9-8(10,11)13-7-4-2-1-3-6(7)5-12/h1-4,12H,5H2
- InChI Key: IZKPDCFEJFNLJD-UHFFFAOYSA-N
- SMILES: C1=CC=C(C(=C1)CO)SC(F)(F)F
Computed Properties
- Exact Mass: 208.01700
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
Experimental Properties
- PSA: 45.53000
- LogP: 2.79080
- Sensitiveness: Stench
2-(Triofluoromethylthio)benzyl Alcohol Security Information
- Hazard Statement: Irritant/Stench
- Hazard Category Code: 36/37/38
- Safety Instruction: 26-36
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Hazardous Material Identification:
2-(Triofluoromethylthio)benzyl Alcohol Customs Data
- HS CODE:2930909090
- Customs Data:
China Customs Code:
2930909090Overview:
2930909090. Other organic sulfur compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2930909090. other organo-sulphur compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
2-(Triofluoromethylthio)benzyl Alcohol Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | T899940-10mg |
2-(Triofluoromethylthio)benzyl Alcohol |
239463-93-5 | 10mg |
$ 50.00 | 2022-06-02 | ||
| TRC | T899940-50mg |
2-(Triofluoromethylthio)benzyl Alcohol |
239463-93-5 | 50mg |
$ 115.00 | 2022-06-02 | ||
| TRC | T899940-100mg |
2-(Triofluoromethylthio)benzyl Alcohol |
239463-93-5 | 100mg |
$ 185.00 | 2022-06-02 |
2-(Triofluoromethylthio)benzyl Alcohol Related Literature
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
Additional information on 2-(Triofluoromethylthio)benzyl Alcohol
Professional Introduction to 2-(Triofluoromethylthio)benzyl Alcohol (CAS No: 239463-93-5)
2-(Triofluoromethylthio)benzyl Alcohol, identified by the Chemical Abstracts Service Number (CAS No) 239463-93-5, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical chemistry and medicinal research. This compound features a benzyl alcohol backbone substituted with a trifluoromethylthio group, which imparts unique electronic and steric properties making it a valuable intermediate in the synthesis of biologically active molecules.
The trifluoromethylthio moiety is particularly noteworthy due to its ability to modulate the pharmacokinetic and pharmacodynamic profiles of drug candidates. In recent years, there has been a surge in research focused on incorporating fluorine-containing groups into pharmaceuticals, owing to their favorable effects on metabolic stability, lipophilicity, and binding affinity. The presence of the trifluoromethylthio group in 2-(Triofluoromethylthio)benzyl Alcohol suggests potential applications in the development of novel therapeutics targeting various diseases, including oncology and inflammatory disorders.
One of the most compelling aspects of this compound is its utility as a building block in the synthesis of more complex molecules. The benzyl alcohol part of the structure provides a versatile handle for further functionalization, while the trifluoromethylthio group can serve as an anchor for interactions with biological targets. This dual functionality has made 2-(Triofluoromethylthio)benzyl Alcohol a subject of interest in fragment-based drug design approaches, where small molecules are screened for their ability to bind to protein targets and modulate their activity.
Recent advancements in synthetic methodologies have enabled more efficient and scalable production of 2-(Triofluoromethylthio)benzyl Alcohol, making it more accessible for industrial applications. Techniques such as transition-metal-catalyzed cross-coupling reactions have been employed to introduce the desired substituents with high precision. These improvements have not only reduced costs but also enhanced the quality of the final product, ensuring that researchers can rely on consistent and high-purity material for their experiments.
The biological significance of trifluoromethylthio containing compounds has been underscored by several studies published in leading scientific journals. For instance, researchers have demonstrated that molecules featuring this group exhibit enhanced binding affinities to certain enzymes and receptors compared to their non-fluorinated counterparts. This phenomenon is attributed to the electron-withdrawing nature of the trifluoromethyl group, which can stabilize positive charges and improve interactions within the binding pocket. In the context of 2-(Triofluoromethylthio)benzyl Alcohol, these properties could translate into improved efficacy and reduced side effects for potential drug candidates derived from it.
In addition to its role as a synthetic intermediate, 2-(Triofluoromethylthio)benzyl Alcohol has shown promise in material science applications. The unique electronic properties conferred by the trifluoromethylthio group make it a candidate for use in organic electronics, where such compounds can contribute to the development of more efficient light-emitting diodes (LEDs) and photovoltaic cells. While this application is still in its nascent stages, it highlights the broad utility of fluorinated compounds beyond traditional pharmaceuticals.
The future direction of research involving 2-(Triofluoromethylthio)benzyl Alcohol is likely to focus on expanding its chemical space through derivatization and exploring new synthetic pathways. By leveraging computational chemistry and high-throughput screening techniques, scientists aim to identify novel derivatives with enhanced biological activity. Furthermore, efforts are underway to develop greener synthetic methods that minimize waste and reduce environmental impact, aligning with global sustainability goals.
In conclusion, 2-(Triofluoromethylthio)benzyl Alcohol (CAS No: 239463-93-5) represents a fascinating compound with diverse applications in pharmaceuticals and materials science. Its unique structural features offer opportunities for innovation across multiple disciplines, making it a cornerstone in modern chemical research. As our understanding of fluorinated compounds continues to evolve, so too will their role in shaping the future of medicine and technology.
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