Cas no 136364-60-8 (1,2,4-Trifluoro-5-(trichloromethyl)benzene)
1,2,4-Trifluoro-5-(trichloromethyl)benzene Chemical and Physical Properties
Names and Identifiers
-
- 1,2,4-Trifluoro-5-(trichloromethyl)benzene
- 2,4,5-TRIFLUOROTRICHLOROMETHYL BENZENE
- 2,4,5-Trifluoro-(trichloromethyl)benzene
- Benzene, 1,2,4-trifluoro-5-(trichloromethyl)-
- FT-0651596
- DTXSID60597385
- 2,4,5-Trifluorotrichloromethylbenzene
- SCHEMBL8975115
- 2,4,5-Trifluoro Trichloromethyl Benzene
- AKOS015890409
- 136364-60-8
-
- MDL: MFCD09835306
- Inchi: 1S/C7H2Cl3F3/c8-7(9,10)3-1-5(12)6(13)2-4(3)11/h1-2H
- InChI Key: QCDGLYXARUKIHR-UHFFFAOYSA-N
- SMILES: ClC(C1C=C(C(=CC=1F)F)F)(Cl)Cl
Computed Properties
- Exact Mass: 247.91700
- Monoisotopic Mass: 247.917
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 182
- 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
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: 3.8
- Topological Polar Surface Area: 0A^2
Experimental Properties
- Color/Form: No data avaiable
- Density: 1.2±0.1 g/cm3
- Melting Point: No data available
- Boiling Point: 162.7±20.0 °C at 760 mmHg
- Flash Point: 52.5±7.3 °C
- Refractive Index: 1.502
- PSA: 0.00000
- LogP: 3.93060
- Vapor Pressure: No data available
1,2,4-Trifluoro-5-(trichloromethyl)benzene Security Information
- Signal Word:warning
- Hazard Statement: H303+H313+H333
- Warning Statement: P264+P280+P305+P351+P338+P337+P313
- Safety Instruction: H303+H313+H333
- Storage Condition:Store at 4 ° C, -4 ° C is better
1,2,4-Trifluoro-5-(trichloromethyl)benzene Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019088189-1g |
1,2,4-Trifluoro-5-(trichloromethyl)benzene |
136364-60-8 | 95% | 1g |
400.00 USD | 2021-06-17 | |
| Crysdot LLC | CD12148516-5g |
1,2,4-Trifluoro-5-(trichloromethyl)benzene |
136364-60-8 | 95+% | 5g |
$628 | 2024-07-23 | |
| Ambeed | A749621-1g |
1,2,4-Trifluoro-5-(trichloromethyl)benzene |
136364-60-8 | 95+% | 1g |
$159.0 | 2025-02-26 |
1,2,4-Trifluoro-5-(trichloromethyl)benzene Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
Additional information on 1,2,4-Trifluoro-5-(trichloromethyl)benzene
1,2,4-Trifluoro-5-(trichloromethyl)benzene (CAS No. 136364-60-8): An Overview of a Unique Fluorinated Aromatic Compound
1,2,4-Trifluoro-5-(trichloromethyl)benzene (CAS No. 136364-60-8) is a highly specialized fluorinated aromatic compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in various fields, including pharmaceuticals, materials science, and chemical synthesis. This compound is characterized by its trifluoro and trichloromethyl substituents, which confer it with distinct reactivity and stability profiles.
The molecular structure of 1,2,4-Trifluoro-5-(trichloromethyl)benzene consists of a benzene ring substituted with three fluorine atoms at the 1, 2, and 4 positions and a trichloromethyl group at the 5 position. The presence of these halogen substituents imparts significant electronic and steric effects, making the compound highly versatile in chemical reactions. The trifluoro substituents are known for their strong electron-withdrawing properties, which can influence the reactivity of the benzene ring and adjacent functional groups. Meanwhile, the trichloromethyl group adds further complexity to the molecule, contributing to its unique chemical behavior.
In the realm of pharmaceutical research, 1,2,4-Trifluoro-5-(trichloromethyl)benzene has shown promise as a building block for the synthesis of novel drug candidates. Fluorinated compounds are increasingly important in drug discovery due to their ability to improve pharmacokinetic properties such as solubility, metabolic stability, and bioavailability. The trifluoro substituents in this compound can enhance these properties, making it an attractive starting material for the development of new therapeutic agents.
Recent studies have explored the use of 1,2,4-Trifluoro-5-(trichloromethyl)benzene in the synthesis of fluorinated derivatives with potential applications in cancer therapy. For instance, a study published in the Journal of Medicinal Chemistry reported the synthesis of a series of fluorinated analogs derived from this compound and evaluated their anticancer activity against various human cancer cell lines. The results indicated that some of these derivatives exhibited potent cytotoxic effects, suggesting their potential as lead compounds for further drug development.
Beyond pharmaceuticals, 1,2,4-Trifluoro-5-(trichloromethyl)benzene has also found applications in materials science. Fluorinated aromatic compounds are known for their excellent thermal stability and chemical resistance, making them valuable components in the production of advanced materials such as polymers and coatings. The unique combination of trifluoro and trichloromethyl substituents in this compound can enhance these properties further, leading to materials with superior performance characteristics.
In chemical synthesis, 1,2,4-Trifluoro-5-(trichloromethyl)benzene serves as a versatile intermediate for the preparation of a wide range of functionalized derivatives. Its reactivity can be fine-tuned by adjusting reaction conditions and selecting appropriate reagents. For example, nucleophilic substitution reactions at the trichloromethyl group can yield a variety of substituted products with diverse functionalities. Additionally, electrophilic aromatic substitution reactions can be employed to introduce additional substituents onto the benzene ring, expanding the range of possible applications.
The environmental impact of 1,2,4-Trifluoro-5-(trichloromethyl)benzene is an important consideration in its use and disposal. While halogenated compounds can pose environmental concerns due to their persistence and potential toxicity, recent research has focused on developing sustainable synthetic methods that minimize waste and reduce environmental impact. Green chemistry principles are increasingly being applied to the synthesis and use of such compounds to ensure their safe and responsible handling.
In conclusion, 1,2,4-Trifluoro-5-(trichloromethyl)benzene (CAS No. 136364-60-8) is a multifaceted compound with a wide array of potential applications in pharmaceuticals, materials science, and chemical synthesis. Its unique chemical structure endows it with valuable properties that make it an attractive candidate for further research and development. As ongoing studies continue to uncover new insights into its behavior and applications, this compound is likely to play an increasingly important role in various scientific disciplines.
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