Cas no 115650-77-6 (3,5-Difluorobenzene-1-sulfonyl Fluoride)
3,5-Difluorobenzene-1-sulfonyl Fluoride Chemical and Physical Properties
Names and Identifiers
-
- 3,5-difluorobenzenesulfonyl fluoride
- 3,5-Difluorobenzene-1-sulfonyl fluoride
- JYGATZXHCCSYOB-UHFFFAOYSA-N
- QEA65077
- SCHEMBL4900823
- DTXSID60557207
- Benzenesulfonyl fluoride, 3,5-difluoro-
- EN300-224343
- 3,5-Difluorobenzene-1-sulfonylfluoride
- 115650-77-6
- Z1862021661
- DTXCID60507989
- ES-2172
- G30153
- AKOS034834129
- 3,5-Difluorobenzene-1-sulfonyl Fluoride
-
- MDL: MFCD22192506
- Inchi: 1S/C6H3F3O2S/c7-4-1-5(8)3-6(2-4)12(9,10)11/h1-3H
- InChI Key: JYGATZXHCCSYOB-UHFFFAOYSA-N
- SMILES: S(C1C=C(C=C(C=1)F)F)(=O)(=O)F
Computed Properties
- Exact Mass: 195.98058499g/mol
- Monoisotopic Mass: 195.98058499g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 236
- 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: 1.9
- Topological Polar Surface Area: 42.5?2
3,5-Difluorobenzene-1-sulfonyl Fluoride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D449423-50mg |
3,5-Difluorobenzene-1-sulfonyl Fluoride |
115650-77-6 | 50mg |
$ 70.00 | 2022-06-05 | ||
| TRC | D449423-100mg |
3,5-Difluorobenzene-1-sulfonyl Fluoride |
115650-77-6 | 100mg |
$ 95.00 | 2022-06-05 | ||
| TRC | D449423-500mg |
3,5-Difluorobenzene-1-sulfonyl Fluoride |
115650-77-6 | 500mg |
$ 340.00 | 2022-06-05 | ||
| Enamine | EN300-224343-0.1g |
3,5-difluorobenzene-1-sulfonyl fluoride |
115650-77-6 | 95% | 0.1g |
$42.0 | 2024-06-20 | |
| Enamine | EN300-224343-0.25g |
3,5-difluorobenzene-1-sulfonyl fluoride |
115650-77-6 | 95% | 0.25g |
$61.0 | 2024-06-20 | |
| Enamine | EN300-224343-0.5g |
3,5-difluorobenzene-1-sulfonyl fluoride |
115650-77-6 | 95% | 0.5g |
$108.0 | 2024-06-20 | |
| Enamine | EN300-224343-1.0g |
3,5-difluorobenzene-1-sulfonyl fluoride |
115650-77-6 | 95% | 1.0g |
$169.0 | 2024-06-20 | |
| Enamine | EN300-224343-2.5g |
3,5-difluorobenzene-1-sulfonyl fluoride |
115650-77-6 | 95% | 2.5g |
$332.0 | 2024-06-20 | |
| Enamine | EN300-224343-5.0g |
3,5-difluorobenzene-1-sulfonyl fluoride |
115650-77-6 | 95% | 5.0g |
$493.0 | 2024-06-20 | |
| Enamine | EN300-224343-10.0g |
3,5-difluorobenzene-1-sulfonyl fluoride |
115650-77-6 | 95% | 10.0g |
$733.0 | 2024-06-20 |
3,5-Difluorobenzene-1-sulfonyl Fluoride Related Literature
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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3. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
Additional information on 3,5-Difluorobenzene-1-sulfonyl Fluoride
Comprehensive Overview of 3,5-Difluorobenzene-1-sulfonyl Fluoride (CAS No. 115650-77-6)
3,5-Difluorobenzene-1-sulfonyl fluoride (CAS No. 115650-77-6) is a fluorinated aromatic sulfonyl fluoride compound widely utilized in organic synthesis, pharmaceutical intermediates, and material science. Its unique molecular structure, featuring two fluorine atoms at the meta positions and a reactive sulfonyl fluoride group, makes it a valuable building block for designing advanced fluorinated compounds. The sulfonyl fluoride moiety is particularly notable for its role in click chemistry and SuFEx (Sulfur Fluoride Exchange) reactions, which are pivotal in drug discovery and bioconjugation.
In recent years, the demand for 3,5-difluorobenzene derivatives has surged due to their applications in agrochemicals, electronic materials, and life sciences. Researchers and industries are increasingly focusing on sustainable fluorination methods and green chemistry approaches to synthesize such compounds, aligning with global trends toward environmentally friendly processes. The compound's stability and reactivity also make it a candidate for high-performance polymers and lithium-ion battery electrolytes, addressing growing interest in energy storage solutions.
From a synthetic perspective, 3,5-Difluorobenzene-1-sulfonyl fluoride is often prepared via electrophilic aromatic substitution or nucleophilic fluorination of benzene precursors. Its CAS No. 115650-77-6 is frequently searched in chemical databases for structure-activity relationship (SAR) studies, reflecting its importance in medicinal chemistry. Common queries include "synthesis of 3,5-difluorobenzenesulfonyl fluoride" and "applications of sulfonyl fluorides in drug design," highlighting its relevance in cutting-edge research.
The compound's thermal and chemical stability allows for versatile functionalization, enabling its use in proteomics and biomarker discovery. Its compatibility with bioorthogonal chemistry tools has further expanded its utility in targeted therapeutics and diagnostic imaging. As the pharmaceutical industry explores covalent inhibitors, 3,5-Difluorobenzene-1-sulfonyl fluoride serves as a key intermediate for developing irreversible enzyme inhibitors with enhanced selectivity.
In material science, the incorporation of fluorinated aromatic groups improves the properties of liquid crystals, OLEDs (organic light-emitting diodes), and semiconductor coatings. Searches for "fluorinated sulfonyl fluorides in electronics" underscore its role in next-generation technologies. Additionally, its low toxicity profile compared to other sulfonyl halides makes it a safer alternative for industrial-scale applications.
Analytical techniques such as NMR spectroscopy, HPLC, and mass spectrometry are typically employed to characterize CAS No. 115650-77-6. Regulatory compliance with REACH and FDA guidelines ensures its safe handling in research and production. With the rise of AI-driven molecular design, this compound is increasingly featured in computational chemistry models to predict novel reactivity patterns.
In summary, 3,5-Difluorobenzene-1-sulfonyl fluoride (CAS No. 115650-77-6) bridges multiple disciplines, from medicinal chemistry to advanced materials. Its adaptability to emerging technologies and alignment with green synthesis principles position it as a critical component in modern scientific innovation. Future research may explore its potential in carbon capture and renewable energy applications, further expanding its industrial significance.
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