Cas no 1803790-37-5 (3,4-Difluoro-5-(trifluoromethyl)aniline)
3,4-Difluoro-5-(trifluoromethyl)aniline Chemical and Physical Properties
Names and Identifiers
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- 3,4-Difluoro-5-(trifluoromethyl)aniline
- 1803790-37-5
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- Inchi: InChI=1S/C7H4F5N/c8-5-2-3(13)1-4(6(5)9)7(10,11)12/h1-2H,13H2
- InChI Key: CNTKOYKIWYMHEM-UHFFFAOYSA-N
- SMILES: C1=C(C=C(C(=C1C(F)(F)F)F)F)N
Computed Properties
- Exact Mass: 197.02638994g/mol
- Monoisotopic Mass: 197.02638994g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 180
- 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: 2.3
- Topological Polar Surface Area: 26?2
3,4-Difluoro-5-(trifluoromethyl)aniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019149011-5g |
3,4-Difluoro-5-(trifluoromethyl)aniline |
1803790-37-5 | 95% | 5g |
2,150.70 USD | 2021-06-15 | |
| Alichem | A019149011-10g |
3,4-Difluoro-5-(trifluoromethyl)aniline |
1803790-37-5 | 95% | 10g |
2,706.80 USD | 2021-06-15 | |
| Alichem | A019149011-25g |
3,4-Difluoro-5-(trifluoromethyl)aniline |
1803790-37-5 | 95% | 25g |
4,783.80 USD | 2021-06-15 |
3,4-Difluoro-5-(trifluoromethyl)aniline Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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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
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
Additional information on 3,4-Difluoro-5-(trifluoromethyl)aniline
3,4-Difluoro-5-(trifluoromethyl)aniline: A Comprehensive Overview
3,4-Difluoro-5-(trifluoromethyl)aniline, also known by its CAS number 1803790-37-5, is a highly fluorinated aromatic amine that has garnered significant attention in the fields of organic synthesis, materials science, and pharmacology. This compound is characterized by its unique structure, which features a trifluoromethyl group at the 5-position of the aniline ring, along with fluorine atoms at the 3 and 4 positions. The combination of these substituents imparts distinctive electronic and steric properties to the molecule, making it a valuable building block in various chemical applications.
The synthesis of 3,4-Difluoro-5-(trifluoromethyl)aniline typically involves multi-step processes that require precise control over reaction conditions to achieve high yields and purity. Recent advancements in fluorination techniques have enabled more efficient pathways for constructing this compound. For instance, researchers have explored the use of electrophilic fluorination methods, such as the Sandmeyer reaction or nucleophilic aromatic substitution, to introduce the trifluoromethyl group onto the aniline ring. These methods not only enhance the scalability of the synthesis but also contribute to the overall sustainability of chemical processes.
In terms of applications, 3,4-Difluoro-5-(trifluoromethyl)aniline has found utility in diverse areas. One notable application is in the development of advanced materials, particularly in the realm of organic electronics. The compound's electron-withdrawing groups enhance its ability to act as an electron acceptor, making it a promising candidate for use in organic photovoltaic devices and field-effect transistors. Recent studies have demonstrated that incorporating this compound into conjugated polymers can significantly improve charge transport properties and device performance.
The pharmaceutical industry has also benefited from the unique properties of 3,4-Difluoro-5-(trifluoromethyl)aniline. Its fluorinated structure confers high stability and bioavailability, making it a valuable intermediate in drug discovery programs. For example, researchers have utilized this compound as a precursor for designing novel kinase inhibitors and other bioactive molecules. The ability to fine-tune its reactivity through strategic substitution patterns has further expanded its utility in medicinal chemistry.
From an environmental perspective, understanding the behavior of 3,4-Difluoro-5-(trifluoromethyl)aniline in various ecosystems is crucial for assessing its potential impact on human health and the environment. Recent toxicological studies have focused on evaluating its biodegradation pathways and accumulation potential in aquatic systems. These studies have provided valuable insights into designing safer synthetic routes and waste management strategies for this compound.
In conclusion, 3,4-Difluoro-5-(trifluoromethyl)aniline stands as a testament to the ingenuity of modern chemical synthesis and its wide-ranging applications across multiple disciplines. As research continues to uncover new avenues for its use and optimization, this compound is poised to play an increasingly important role in shaping future advancements in science and technology.
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