Cas no 1609945-12-1 (Benzenesulfonyl chloride, 4-(2,2,2-trifluoroacetyl)-)
Benzenesulfonyl chloride, 4-(2,2,2-trifluoroacetyl)- Chemical and Physical Properties
Names and Identifiers
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- Benzenesulfonyl chloride, 4-(2,2,2-trifluoroacetyl)-
- SCHEMBL23536350
- 4-(2,2,2-Trifluoroacetyl)benzenesulfonyl chloride
- EN300-6482307
- 1609945-12-1
- 4-(trifluoroacetyl)benzene-1-sulfonyl chloride
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- Inchi: 1S/C8H4ClF3O3S/c9-16(14,15)6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
- InChI Key: RQRJCAYXNBZUID-UHFFFAOYSA-N
- SMILES: C1(S(Cl)(=O)=O)=CC=C(C(C(F)(F)F)=O)C=C1
Computed Properties
- Exact Mass: 271.9521773g/mol
- Monoisotopic Mass: 271.9521773g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 363
- 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: 2.7
- Topological Polar Surface Area: 59.6?2
Experimental Properties
- Density: 1.566±0.06 g/cm3(Predicted)
- Boiling Point: 317.6±42.0 °C(Predicted)
Benzenesulfonyl chloride, 4-(2,2,2-trifluoroacetyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-6482307-0.05g |
4-(trifluoroacetyl)benzene-1-sulfonyl chloride |
1609945-12-1 | 95.0% | 0.05g |
$197.0 | 2025-03-15 | |
| Enamine | EN300-6482307-0.1g |
4-(trifluoroacetyl)benzene-1-sulfonyl chloride |
1609945-12-1 | 95.0% | 0.1g |
$293.0 | 2025-03-15 | |
| Enamine | EN300-6482307-0.25g |
4-(trifluoroacetyl)benzene-1-sulfonyl chloride |
1609945-12-1 | 95.0% | 0.25g |
$418.0 | 2025-03-15 | |
| Enamine | EN300-6482307-0.5g |
4-(trifluoroacetyl)benzene-1-sulfonyl chloride |
1609945-12-1 | 95.0% | 0.5g |
$656.0 | 2025-03-15 | |
| Enamine | EN300-6482307-1.0g |
4-(trifluoroacetyl)benzene-1-sulfonyl chloride |
1609945-12-1 | 95.0% | 1.0g |
$842.0 | 2025-03-15 | |
| Enamine | EN300-6482307-2.5g |
4-(trifluoroacetyl)benzene-1-sulfonyl chloride |
1609945-12-1 | 95.0% | 2.5g |
$1650.0 | 2025-03-15 | |
| Enamine | EN300-6482307-5.0g |
4-(trifluoroacetyl)benzene-1-sulfonyl chloride |
1609945-12-1 | 95.0% | 5.0g |
$2443.0 | 2025-03-15 | |
| Enamine | EN300-6482307-10.0g |
4-(trifluoroacetyl)benzene-1-sulfonyl chloride |
1609945-12-1 | 95.0% | 10.0g |
$3622.0 | 2025-03-15 |
Benzenesulfonyl chloride, 4-(2,2,2-trifluoroacetyl)- Related Literature
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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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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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
Additional information on Benzenesulfonyl chloride, 4-(2,2,2-trifluoroacetyl)-
Benzenesulfonyl Chloride, 4-(2,2,2-Trifluoroacetyl): A Comprehensive Overview
The compound Benzenesulfonyl Chloride, 4-(2,2,2-Trifluoroacetyl), with the CAS number 1609945-12-1, is a highly specialized organic chemical that has garnered significant attention in various fields of research and industry. This compound is notable for its unique structure, which combines a benzenesulfonyl group with a trifluoroacetyl substituent. The presence of the trifluoroacetyl group introduces interesting electronic and steric properties, making this compound valuable in synthetic chemistry and material science.
Recent studies have highlighted the potential of Benzenesulfonyl Chloride, 4-(2,2,2-Trifluoroacetyl) in the development of advanced materials. Researchers have explored its role as a building block in the synthesis of fluorinated aromatic compounds, which are widely used in pharmaceuticals, agrochemicals, and high-performance polymers. The trifluoroacetyl group is particularly advantageous due to its strong electron-withdrawing effect and resistance to chemical degradation.
In the context of drug discovery, Benzenesulfonyl Chloride derivatives have been investigated for their potential as inhibitors of key enzymes involved in metabolic pathways. For instance, studies have shown that certain analogs of this compound can modulate the activity of serine proteases, making them promising candidates for anti-inflammatory and antithrombotic therapies. The ability to fine-tune the electronic properties of the molecule through substitution patterns has further enhanced its utility in medicinal chemistry.
The synthesis of 4-(2,2,2-Trifluoroacetyl) Benzenesulfonyl Chloride typically involves a multi-step process that includes Friedel-Crafts acylation followed by sulfonation. Recent advancements in catalytic methods have enabled more efficient and environmentally friendly routes to this compound. For example, the use of transition metal catalysts has significantly improved yields while reducing reaction times.
From an environmental standpoint, the stability and bioaccumulation potential of Benzenesulfonyl Chloride derivatives are critical considerations. Studies have demonstrated that these compounds exhibit moderate persistence in aquatic environments but do not pose significant risks to human health under normal exposure conditions. Regulatory frameworks are continuously being updated to ensure safe handling and disposal practices.
In conclusion, Benzenesulfonyl Chloride, 4-(2,2,2-Trifluoroacetyl) stands out as a versatile and innovative chemical entity with applications spanning multiple disciplines. Its unique properties and adaptability make it a valuable tool for researchers and industries alike. As ongoing research continues to uncover new applications and improve synthetic methodologies, this compound is poised to play an increasingly important role in the development of next-generation materials and therapeutic agents.
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