Cas no 935534-33-1 (4-Bromo-3-fluorobenzene-1-sulfonyl Fluoride)

4-Bromo-3-fluorobenzene-1-sulfonyl fluoride is a fluorinated sulfonyl derivative with a bromo-fluoro-substituted benzene core, serving as a versatile intermediate in organic synthesis. Its key advantages include high reactivity as a sulfonylating agent, enabling efficient incorporation of the sulfonyl fluoride functional group into target molecules. The presence of both bromine and fluorine substituents enhances its utility in cross-coupling reactions and further derivatization. The sulfonyl fluoride moiety is particularly valuable in click chemistry and bioconjugation applications due to its selective reactivity with nucleophiles. This compound is well-suited for pharmaceutical and agrochemical research, offering precise functionalization opportunities while maintaining stability under typical reaction conditions.
4-Bromo-3-fluorobenzene-1-sulfonyl Fluoride structure
935534-33-1 structure
Product Name:4-Bromo-3-fluorobenzene-1-sulfonyl Fluoride
CAS No:935534-33-1
MF:C6H3BrF2O2S
MW:257.052626848221
MDL:MFCD09261220
CID:1981170
PubChem ID:121514200
Update Time:2025-06-08

4-Bromo-3-fluorobenzene-1-sulfonyl Fluoride Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-3-fluorobenzenesulfonylfluoride
    • AKOS037656036
    • DTXSID201273640
    • 935534-33-1
    • 4-bromo-3-fluorobenzene-1-sulfonylfluoride
    • G54132
    • 4-bromo-3-fluorobenzenesulfonyl fluoride
    • Z1269201420
    • 4-bromo-3-fluorobenzene-1-sulfonyl fluoride
    • VS-0030
    • EN300-224351
    • 4-Bromo-3-fluorobenzene-1-sulfonyl Fluoride
    • MDL: MFCD09261220
    • Inchi: 1S/C6H3BrF2O2S/c7-5-2-1-4(3-6(5)8)12(9,10)11/h1-3H
    • InChI Key: FAYULLWUAYDEFM-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1F)S(=O)(=O)F

Computed Properties

  • Exact Mass: 255.90052g/mol
  • Monoisotopic Mass: 255.90052g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 249
  • 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: 2.5
  • Topological Polar Surface Area: 42.5?2

4-Bromo-3-fluorobenzene-1-sulfonyl Fluoride Pricemore >>

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4-Bromo-3-fluorobenzene-1-sulfonyl Fluoride Related Literature

Additional information on 4-Bromo-3-fluorobenzene-1-sulfonyl Fluoride

Comprehensive Overview of 4-Bromo-3-fluorobenzene-1-sulfonyl Fluoride (CAS No. 935534-33-1)

4-Bromo-3-fluorobenzene-1-sulfonyl Fluoride (CAS No. 935534-33-1) is a highly specialized sulfonyl fluoride derivative with significant applications in pharmaceutical and agrochemical research. This compound, characterized by its unique bromo-fluoro substitution pattern, serves as a critical building block in the synthesis of bioactive molecules. Its molecular structure, featuring a sulfonyl fluoride functional group, enables selective reactivity in cross-coupling reactions, making it invaluable in modern medicinal chemistry and drug discovery.

The growing demand for fluorinated compounds in the pharmaceutical industry has propelled interest in 4-Bromo-3-fluorobenzene-1-sulfonyl Fluoride. Researchers are increasingly exploring its potential in designing proteolysis-targeting chimeras (PROTACs) and covalent inhibitors, which are among the hottest topics in targeted drug development. Its ability to act as a suFEx click chemistry reagent further enhances its utility in bioconjugation and chemical biology applications.

From an industrial perspective, 935534-33-1 is often discussed in the context of high-value intermediates for small-molecule therapeutics. Recent studies highlight its role in optimizing kinase inhibitors and GPCR modulators, addressing key challenges in oncology and CNS drug development. The compound's meta-fluorine substitution also influences its lipophilicity and metabolic stability, critical factors in ADME profiling.

In the field of material science, 4-Bromo-3-fluorobenzene-1-sulfonyl Fluoride has garnered attention for its potential in designing fluoropolymer precursors. Its electron-withdrawing properties make it suitable for modifying organic semiconductors, aligning with the surge in demand for flexible electronics and OLED materials. This dual applicability in life sciences and advanced materials underscores its interdisciplinary importance.

Analytical characterization of CAS No. 935534-33-1 typically involves NMR spectroscopy (19F and 1H), mass spectrometry, and HPLC purity analysis. The compound's stability under various storage conditions and compatibility with microwave-assisted synthesis are frequently researched topics. Recent publications emphasize its use in parallel medicinal chemistry workflows, where its scalable synthesis and commercial availability are distinct advantages.

Environmental and regulatory aspects of 4-Bromo-3-fluorobenzene-1-sulfonyl Fluoride are increasingly scrutinized, particularly regarding green chemistry alternatives to traditional halogenation methods. Innovations in catalytic fluorination and flow chemistry are being explored to improve the sustainability profile of such organofluorine compounds. These developments respond to the pharmaceutical industry's push toward greener synthetic routes.

For researchers sourcing 935534-33-1, key considerations include supplier reliability, batch-to-batch consistency, and technical documentation. The compound's structure-activity relationship (SAR) data is often cross-referenced with similar aryl sulfonyl fluorides to predict biological activity. This practice aligns with the current trend of computational chemistry-guided hit-to-lead optimization in early-stage drug discovery.

Future research directions for 4-Bromo-3-fluorobenzene-1-sulfonyl Fluoride may explore its utility in DNA-encoded library (DEL) synthesis or as a handle for protein labeling in chemical proteomics. Its compatibility with photoredox catalysis systems could further expand its applications in C-H functionalization reactions. As the scientific community continues to investigate fluorine-specific interactions in biological systems, compounds like CAS No. 935534-33-1 will remain at the forefront of rational drug design methodologies.

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