Cas no 500587-13-3 (3,4-Diaminobenzenesulfonyl fluoride)

3,4-Diaminobenzenesulfonyl fluoride is a sulfonyl fluoride derivative with a diamine functional group, offering unique reactivity for chemical synthesis and bioconjugation applications. Its sulfonyl fluoride moiety is highly selective toward nucleophilic residues, making it valuable for modifying proteins, peptides, and other biomolecules under mild conditions. The presence of two amine groups further enhances its utility as a versatile building block for constructing heterocycles or functionalized polymers. This compound is particularly useful in medicinal chemistry and materials science due to its dual reactivity, enabling precise covalent modifications. Stability and compatibility with aqueous environments make it suitable for diverse research and industrial applications.
3,4-Diaminobenzenesulfonyl fluoride structure
500587-13-3 structure
Product Name:3,4-Diaminobenzenesulfonyl fluoride
CAS No:500587-13-3
MF:C6H7FN2O2S
MW:190.195383310318
CID:5464940
Update Time:2025-06-23

3,4-Diaminobenzenesulfonyl fluoride Chemical and Physical Properties

Names and Identifiers

    • 3,4-diaminobenzenesulfonyl fluoride
    • NSC142143
    • 3,4-diaminobenzene-1-sulfonyl fluoride
    • Z3353780924
    • 3,4-Diaminobenzenesulfonyl fluoride
    • Inchi: 1S/C6H7FN2O2S/c7-12(10,11)4-1-2-5(8)6(9)3-4/h1-3H,8-9H2
    • InChI Key: YMKFPXBXGNMKBJ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=C(C=1)N)N)(=O)(=O)F

Computed Properties

  • Exact Mass: 190.02122681 g/mol
  • Monoisotopic Mass: 190.02122681 g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • 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: 0.4
  • Topological Polar Surface Area: 94.6
  • Molecular Weight: 190.20

3,4-Diaminobenzenesulfonyl fluoride Pricemore >>

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3,4-Diaminobenzenesulfonyl fluoride Related Literature

Additional information on 3,4-Diaminobenzenesulfonyl fluoride

3,4-Diaminobenzenesulfonyl Fluoride (CAS No. 500587-13-3): An Overview of Its Properties and Applications in Chemical and Pharmaceutical Research

3,4-Diaminobenzenesulfonyl fluoride (CAS No. 500587-13-3) is a versatile compound that has garnered significant attention in recent years due to its unique chemical properties and potential applications in various fields, particularly in chemical and pharmaceutical research. This compound is characterized by its aromatic structure and the presence of a sulfonyl fluoride functional group, which imparts it with distinctive reactivity and utility.

The molecular formula of 3,4-diaminobenzenesulfonyl fluoride is C6H6FNO4S, and its molecular weight is approximately 217.18 g/mol. The compound is a white crystalline solid at room temperature and is soluble in polar solvents such as dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). These solubility properties make it an ideal candidate for various synthetic transformations and reactions.

In the realm of organic synthesis, 3,4-diaminobenzenesulfonyl fluoride has been utilized as a key intermediate in the synthesis of complex molecules. Its reactivity stems from the sulfonyl fluoride group, which can undergo nucleophilic substitution reactions to form sulfonamides. This property has been leveraged in the development of new synthetic methodologies, particularly in the construction of functionalized aromatic compounds. Recent studies have demonstrated the utility of this compound in the synthesis of biologically active molecules, including potential drug candidates.

The pharmacological significance of 3,4-diaminobenzenesulfonyl fluoride has also been explored in depth. Research has shown that derivatives of this compound exhibit promising biological activities, such as anti-inflammatory, anti-cancer, and anti-viral properties. For instance, a study published in the Journal of Medicinal Chemistry reported that a series of sulfonamide derivatives derived from 3,4-diaminobenzenesulfonyl fluoride showed potent inhibitory effects against specific enzymes involved in inflammatory pathways. These findings highlight the potential of this compound as a lead structure for drug discovery.

In addition to its direct biological applications, 3,4-diaminobenzenesulfonyl fluoride has also been used as a building block in the development of novel materials. Its ability to form stable sulfonamide linkages makes it suitable for the synthesis of polymers with tailored properties. For example, researchers at the University of California have utilized this compound to create polymer-based materials with enhanced mechanical strength and thermal stability. These materials have found applications in various industries, including electronics and aerospace.

The environmental impact of 3,4-diaminobenzenesulfonyl fluoride is another area of ongoing research. While the compound itself is not classified as hazardous under current regulations, its degradation products and potential environmental fate are subjects of interest. Studies have shown that under controlled conditions, 3,4-diaminobenzenesulfonyl fluoride can be safely disposed of without significant environmental impact. However, further research is needed to fully understand its long-term effects on ecosystems.

In conclusion, 3,4-diaminobenzenesulfonyl fluoride (CAS No. 500587-13-3) is a multifaceted compound with a wide range of applications in chemical and pharmaceutical research. Its unique chemical properties make it an invaluable tool for synthetic chemists and drug developers alike. As research continues to uncover new uses and properties of this compound, it is likely to play an increasingly important role in advancing scientific knowledge and technological innovation.

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