Cas no 115650-77-6 (3,5-Difluorobenzene-1-sulfonyl Fluoride)

3,5-Difluorobenzene-1-sulfonyl fluoride is a fluorinated aromatic sulfonyl fluoride compound, primarily utilized as a versatile intermediate in organic synthesis and pharmaceutical research. Its key advantages include high reactivity as a sulfonylating agent, enabling efficient incorporation of the sulfonyl fluoride moiety into target molecules. The presence of two fluorine atoms at the 3- and 5-positions enhances its electron-withdrawing properties, making it valuable for designing electrophilic substrates or inhibitors. The compound’s stability under standard conditions ensures ease of handling, while its compatibility with various reaction conditions broadens its applicability in cross-coupling and click chemistry. It is particularly useful in the development of sulfonamide-based bioactive compounds.
3,5-Difluorobenzene-1-sulfonyl Fluoride structure
115650-77-6 structure
Product Name:3,5-Difluorobenzene-1-sulfonyl Fluoride
CAS No:115650-77-6
MF:C6H3F3O2S
MW:196.147031068802
MDL:MFCD22192506
CID:2613689
PubChem ID:14195261
Update Time:2025-06-14

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

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.

Recommended suppliers
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing Jubai Biopharm
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
上海嶸奧生物技術(shù)有限公司