Cas no 1261674-26-3 (2-cyano-4-fluorobenzene-1-sulfonyl chloride)
2-cyano-4-fluorobenzene-1-sulfonyl chloride Chemical and Physical Properties
Names and Identifiers
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- 2-cyano-4-fluorobenzene-1-sulfonyl chloride
- 2-cyano-4-fluorobenzene-1-sulfonylchloride
- MFCD18394021
- AKOS012983859
- EN300-98184
- CS-0218029
- AT11537
- SY281545
- SCHEMBL16080223
- 1261674-26-3
- 2-cyano-4-fluorobenzenesulfonyl chloride
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- MDL: MFCD18394021
- Inchi: 1S/C7H3ClFNO2S/c8-13(11,12)7-2-1-6(9)3-5(7)4-10/h1-3H
- InChI Key: KXWBPZIFIFCHHG-UHFFFAOYSA-N
- SMILES: ClS(C1C=CC(=CC=1C#N)F)(=O)=O
Computed Properties
- Exact Mass: 218.9557054g/mol
- Monoisotopic Mass: 218.9557054g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 328
- 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: 1.8
- Topological Polar Surface Area: 66.3?2
2-cyano-4-fluorobenzene-1-sulfonyl chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B422495-10mg |
2-cyano-4-fluorobenzene-1-sulfonyl chloride |
1261674-26-3 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B422495-50mg |
2-cyano-4-fluorobenzene-1-sulfonyl chloride |
1261674-26-3 | 50mg |
$ 185.00 | 2022-06-07 | ||
| TRC | B422495-100mg |
2-cyano-4-fluorobenzene-1-sulfonyl chloride |
1261674-26-3 | 100mg |
$ 275.00 | 2022-06-07 | ||
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBRA198-100mg |
Benzenesulfonyl chloride, 2-cyano-4-fluoro- |
1261674-26-3 | 95% | 100mg |
¥759.0 | 2024-04-25 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBRA198-250mg |
Benzenesulfonyl chloride, 2-cyano-4-fluoro- |
1261674-26-3 | 95% | 250mg |
¥1300.0 | 2024-04-25 | |
| NAN JING YAO SHI KE JI GU FEN Co., Ltd. | PBRA198-1g |
Benzenesulfonyl chloride, 2-cyano-4-fluoro- |
1261674-26-3 | 95% | 1g |
¥3511.0 | 2024-04-25 | |
| Enamine | EN300-98184-1g |
2-cyano-4-fluorobenzene-1-sulfonyl chloride |
1261674-26-3 | 94% | 1g |
$714.0 | 2023-09-01 | |
| Enamine | EN300-98184-5g |
2-cyano-4-fluorobenzene-1-sulfonyl chloride |
1261674-26-3 | 94% | 5g |
$2070.0 | 2023-09-01 | |
| Enamine | EN300-98184-10g |
2-cyano-4-fluorobenzene-1-sulfonyl chloride |
1261674-26-3 | 94% | 10g |
$3069.0 | 2023-09-01 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1288699-50mg |
2-Cyano-4-fluorobenzene-1-sulfonyl chloride |
1261674-26-3 | 95% | 50mg |
¥3585 | 2023-04-16 |
2-cyano-4-fluorobenzene-1-sulfonyl chloride Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
Additional information on 2-cyano-4-fluorobenzene-1-sulfonyl chloride
2-Cyano-4-fluorobenzene-1-sulfonyl Chloride: A Versatile Intermediate in Modern Chemical Synthesis
In the realm of chemical synthesis, intermediates play a pivotal role in the development of novel compounds with applications spanning pharmaceuticals, agrochemicals, and materials science. One such compound that has garnered significant attention is 2-cyano-4-fluorobenzene-1-sulfonyl chloride (CAS No. 1261674-26-3). This specialty chemical is renowned for its unique structural features, combining a sulfonyl chloride group with cyano and fluoro substituents on a benzene ring. Such a configuration imparts high reactivity and versatility, making it an invaluable building block in organic synthesis. Researchers and industries are increasingly exploring its potential, driven by trends in sustainable chemistry and the demand for efficient synthetic routes. As interest grows in green chemistry and AI-driven drug discovery, compounds like this are at the forefront of innovation, addressing common search queries such as "highly reactive sulfonyl chlorides" or "fluorinated intermediates for medicinal chemistry."
The molecular structure of 2-cyano-4-fluorobenzene-1-sulfonyl chloride features a benzene core with strategic functional groups: a cyano group at the 2-position, a fluoro atom at the 4-position, and a sulfonyl chloride moiety at the 1-position. This arrangement enhances its electrophilic character, allowing it to participate in various nucleophilic substitution reactions. The presence of the electron-withdrawing cyano and fluoro groups further activates the sulfonyl chloride group, facilitating reactions under mild conditions. This reactivity is crucial in cascade synthesis and click chemistry, which are hot topics in modern research due to their efficiency and atom economy. Users often search for terms like "functionalized benzenesulfonyl chlorides" or "reactive intermediates for heterocycle formation," highlighting the compound's relevance in cutting-edge applications.
Applications of 2-cyano-4-fluorobenzene-1-sulfonyl chloride are diverse and align with current industry trends. In pharmaceutical research, it serves as a key intermediate for synthesizing sulfonamide-based drugs, which are prevalent in treatments for conditions like hypertension and infections. The fluoro substituent is particularly valuable, as fluorination is a common strategy to improve metabolic stability and bioavailability in drug candidates—a topic frequently searched in contexts like "fluorine in drug design" or "bioisosteres in medicinal chemistry." Additionally, this compound finds use in agrochemical development, where its derivatives act as herbicides or pesticides with enhanced efficacy. The integration of computational chemistry and machine learning in predicting reaction outcomes has further boosted its utility, as researchers seek optimized synthetic pathways that minimize waste and energy consumption, echoing popular queries such as "AI in organic synthesis optimization."
From a synthetic perspective, 2-cyano-4-fluorobenzene-1-sulfonyl chloride is typically prepared through chlorosulfonation of appropriately substituted benzene precursors, followed by purification to ensure high purity. Its handling requires standard laboratory precautions, emphasizing safety and environmental considerations, which are central to green chemistry principles. The compound's stability and solubility properties make it suitable for various reaction media, including aqueous systems and ionic liquids, aligning with searches for "eco-friendly solvents in synthesis." Moreover, its role in polymer chemistry is emerging, where it can be used to modify polymer chains for advanced materials with tailored properties, responding to interests in "smart materials" and "functional polymers."
Market dynamics for 2-cyano-4-fluorobenzene-1-sulfonyl chloride reflect broader trends in the chemical industry, such as the shift towards custom synthesis and high-throughput screening. With the rise of biotechnology and personalized medicine, demand for specialized intermediates is growing, as evidenced by search terms like "chemical intermediates for bioconjugation" or "sulfonyl chloride applications in diagnostics." The compound's compatibility with automated synthesis platforms and flow chemistry setups further enhances its appeal, enabling scalable production while adhering to sustainability goals. As regulatory frameworks evolve to promote safer chemicals, this intermediate stands out for its well-documented profile and minimal ecological impact, addressing common concerns in queries such as "benign by design chemicals."
In conclusion, 2-cyano-4-fluorobenzene-1-sulfonyl chloride (CAS No. 1261674-26-3) is a multifaceted intermediate that embodies innovation in chemical synthesis. Its structural attributes enable diverse applications, from drug discovery to materials science, while aligning with contemporary focuses on sustainability and technological integration. By leveraging its reactivity and compatibility with modern techniques, researchers can drive advancements that answer pressing global challenges, making it a subject of ongoing interest and exploration in both academic and industrial settings.
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