Cas no 3822-20-6 (2,3-Bis(trifluoromethyl)aniline)
2,3-Bis(trifluoromethyl)aniline Chemical and Physical Properties
Names and Identifiers
-
- 2,3-Bis(trifluoromethyl)aniline
- MFCD16619412
- SCHEMBL790403
- Ditrifluormethylaniline
- 3822-20-6
- SB80353
- 2,3-Bis(trifluoromethyl)phenylamine
-
- MDL: MFCD16619412
- Inchi: 1S/C8H5F6N/c9-7(10,11)4-2-1-3-5(15)6(4)8(12,13)14/h1-3H,15H2
- InChI Key: OUYTZPOGDMVMNL-UHFFFAOYSA-N
- SMILES: FC(C1C(=CC=CC=1C(F)(F)F)N)(F)F
Computed Properties
- Exact Mass: 229.03265
- Monoisotopic Mass: 229.03261814g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 220
- 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: 3
- Topological Polar Surface Area: 26?2
Experimental Properties
- PSA: 26.02
2,3-Bis(trifluoromethyl)aniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB279902-1 g |
2,3-Bis(trifluoromethyl)aniline; . |
3822-20-6 | 1g |
€439.00 | 2023-05-20 | ||
| abcr | AB279902-5 g |
2,3-Bis(trifluoromethyl)aniline; . |
3822-20-6 | 5g |
€1088.00 | 2023-05-20 | ||
| Chemenu | CM193092-1g |
2,3-bis(trifluoromethyl)aniline |
3822-20-6 | 95% | 1g |
$1658 | 2022-06-11 | |
| Chemenu | CM193092-1g |
2,3-bis(trifluoromethyl)aniline |
3822-20-6 | 95% | 1g |
$1658 | 2021-06-16 | |
| Alichem | A013006784-250mg |
2,3-Bis(trifluoromethyl)aniline |
3822-20-6 | 97% | 250mg |
$475.20 | 2023-09-02 | |
| Alichem | A013006784-500mg |
2,3-Bis(trifluoromethyl)aniline |
3822-20-6 | 97% | 500mg |
$806.85 | 2023-09-02 | |
| Alichem | A013006784-1g |
2,3-Bis(trifluoromethyl)aniline |
3822-20-6 | 97% | 1g |
$1475.10 | 2023-09-02 | |
| Cooke Chemical | BD3406548-1g |
2,3-Bis(trifluoromethyl)aniline |
3822-20-6 | 95+% | 1g |
RMB 7963.20 | 2025-02-20 | |
| abcr | AB279902-1g |
2,3-Bis(trifluoromethyl)aniline, 97%; . |
3822-20-6 | 97% | 1g |
€439.00 | 2025-02-14 | |
| abcr | AB279902-5g |
2,3-Bis(trifluoromethyl)aniline, 97%; . |
3822-20-6 | 97% | 5g |
€1088.00 | 2025-02-14 |
2,3-Bis(trifluoromethyl)aniline Suppliers
2,3-Bis(trifluoromethyl)aniline Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
Additional information on 2,3-Bis(trifluoromethyl)aniline
Introduction to 2,3-Bis(trifluoromethyl)aniline (CAS No. 3822-20-6)
2,3-Bis(trifluoromethyl)aniline, identified by the Chemical Abstracts Service Number (CAS No.) 3822-20-6, is a significant organic compound that has garnered considerable attention in the field of pharmaceutical and agrochemical research. This compound belongs to the class of aromatic amines, characterized by the presence of two trifluoromethyl groups at the 2 and 3 positions of the benzene ring, alongside an amino group. The unique structural features of 2,3-Bis(trifluoromethyl)aniline contribute to its distinctive chemical properties and make it a valuable intermediate in synthetic chemistry.
The trifluoromethyl group is a key structural moiety in this compound, renowned for its ability to enhance metabolic stability, lipophilicity, and binding affinity in drug candidates. This characteristic has positioned 2,3-Bis(trifluoromethyl)aniline as a crucial building block in the development of novel therapeutic agents. Recent advancements in medicinal chemistry have highlighted its role in designing small-molecule inhibitors targeting various biological pathways.
In recent years, researchers have been exploring the potential of 2,3-Bis(trifluoromethyl)aniline in the synthesis of bioactive molecules. For instance, studies have demonstrated its utility in constructing scaffolds for kinase inhibitors, which are pivotal in treating cancers and inflammatory diseases. The electron-withdrawing nature of the trifluoromethyl groups influences the electronic properties of the aromatic ring, enabling selective interactions with biological targets. This has led to the discovery of several lead compounds with promising pharmacological profiles.
Moreover, the incorporation of trifluoromethyl groups into pharmaceuticals is well-documented for improving pharmacokinetic properties such as bioavailability and resistance to metabolic degradation. The enhanced lipophilicity provided by these groups facilitates better membrane penetration, which is essential for drugs targeting intracellular receptors. Consequently, 2,3-Bis(trifluoromethyl)aniline has been incorporated into various drug discovery programs aimed at developing next-generation therapeutics.
Recent publications have also underscored the compound's role in agrochemical applications. The structural motif present in 2,3-Bis(trifluoromethyl)aniline is frequently found in herbicides and pesticides due to its ability to modulate plant growth regulators and pest resistance mechanisms. Researchers have leveraged its reactivity to synthesize novel compounds with improved efficacy and environmental safety profiles.
The synthesis of 2,3-Bis(trifluoromethyl)aniline typically involves multi-step organic transformations, often starting from commercially available precursors such as aniline derivatives. Advanced synthetic methodologies, including cross-coupling reactions and fluorination techniques, have been employed to achieve high yields and purity. These synthetic strategies are critical for ensuring that the final product meets the stringent requirements for pharmaceutical applications.
From a chemical biology perspective, understanding the interactions between 2,3-Bis(trifluoromethyl)aniline and biological targets has opened new avenues for drug design. Computational modeling and experimental techniques such as X-ray crystallography have been instrumental in elucidating binding modes and optimizing lead compounds. These studies not only enhance our knowledge of molecular recognition but also accelerate the development of targeted therapies.
The versatility of 2,3-Bis(trifluoromethyl)aniline extends beyond pharmaceuticals into materials science. Its unique electronic properties make it a candidate for applications in organic electronics, including light-emitting diodes (OLEDs) and photovoltaic devices. The electron-deficient nature of the trifluoromethyl groups contributes to tunable energy levels, which is advantageous for designing efficient optoelectronic materials.
In conclusion, 2 , 3 - Bis( trifluoromethyl ) aniline ( CAS No . 3822 - 20 - 6 ) remains a cornerstone compound in modern chemical research . Its structural features , coupled with its synthetic accessibility , make it indispensable for developing innovative solutions across multiple industries . As research continues to uncover new applications , this compound is poised to play an even more significant role in advancing scientific and technological progress .
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