Cas no 351003-60-6 (2-bromo-4-fluorobenzene-1-sulfonamide)

2-Bromo-4-fluorobenzene-1-sulfonamide is a halogenated aromatic sulfonamide compound with potential applications in pharmaceutical and agrochemical research. Its structure features both bromine and fluorine substituents, which can enhance reactivity and selectivity in synthetic pathways. The sulfonamide group offers versatility as a building block for further functionalization, making it useful in the development of bioactive molecules. This compound is particularly valuable in medicinal chemistry for designing enzyme inhibitors or receptor modulators due to its electron-withdrawing properties. High-purity grades ensure consistent performance in coupling reactions and other synthetic transformations. Proper handling and storage are recommended due to its halogenated nature.
2-bromo-4-fluorobenzene-1-sulfonamide structure
351003-60-6 structure
Product Name:2-bromo-4-fluorobenzene-1-sulfonamide
CAS No:351003-60-6
MF:C6H5BrFNO2S
MW:254.076802968979
MDL:MFCD03094290
CID:92794
PubChem ID:2778403
Update Time:2025-05-20

2-bromo-4-fluorobenzene-1-sulfonamide Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-4-fluorobenzenesulfonamide
    • Benzenesulfonamide, 2-bromo-4-fluoro-
    • 2-bromo-4-fluorobenzene-1-sulfonamide
    • PS-7434
    • 2-bromo-4-fluorobenzenesulphonamide
    • EN300-271045
    • 2-Bromo-1-ethyl-pyridinium tetrafluoroborate?
    • 351003-60-6
    • 2-Bromo-4-fluorobenzenesulfonamide, 97%
    • SCHEMBL23978197
    • FT-0644482
    • CHEMBL4939486
    • MFCD03094290
    • GS0398
    • AKOS009157865
    • A822562
    • DTXSID70380907
    • 2-Bromo-4-fluoro-benzenesulfonamide
    • J-019932
    • DB-020629
    • MDL: MFCD03094290
    • Inchi: 1S/C6H5BrFNO2S/c7-5-3-4(8)1-2-6(5)12(9,10)11/h1-3H,(H2,9,10,11)
    • InChI Key: FEUDPWHDKUOLBW-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C=CC=1S(N)(=O)=O)F

Computed Properties

  • Exact Mass: 252.92100
  • Monoisotopic Mass: 252.921
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 251
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.3
  • Topological Polar Surface Area: 68.5A^2

Experimental Properties

  • Density: 1.83
  • Melting Point: 171-175?°C (lit.)
  • Boiling Point: 360.9°C at 760 mmHg
  • Flash Point: 172.1°C
  • Refractive Index: 1.592
  • PSA: 68.54000
  • LogP: 3.01670

2-bromo-4-fluorobenzene-1-sulfonamide Security Information

  • Hazard Statement: Irritant
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Hazard Category Code: 36/37/38
  • Safety Instruction: S26; S36/37/39
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36/37/38

2-bromo-4-fluorobenzene-1-sulfonamide Customs Data

  • HS CODE:2935009090
  • Customs Data:

    China Customs Code:

    2935009090

    Overview:

    2935009090 Other sulphonates(Acyl)amine. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:35.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2935009090 other sulphonamides VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:35.0%

2-bromo-4-fluorobenzene-1-sulfonamide Pricemore >>

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Additional information on 2-bromo-4-fluorobenzene-1-sulfonamide

Introduction to 2-bromo-4-fluorobenzene-1-sulfonamide (CAS No. 351003-60-6)

2-bromo-4-fluorobenzene-1-sulfonamide, identified by the Chemical Abstracts Service Number (CAS No.) 351003-60-6, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and medicinal chemistry. This compound belongs to the class of sulfonamides, which are well-documented for their broad spectrum of biological activities. The structural features of 2-bromo-4-fluorobenzene-1-sulfonamide, including the presence of both bromine and fluorine substituents, make it a versatile intermediate in the synthesis of various pharmacologically active molecules.

The sulfonamide functional group (-SO?NH?) is a key pharmacophore in many drugs, contributing to their interaction with biological targets such as enzymes and receptors. The introduction of halogen atoms, particularly bromine and fluorine, into the benzene ring system enhances the compound's lipophilicity and metabolic stability, which are critical factors in drug design. These modifications can also influence the compound's binding affinity and selectivity, making it a valuable building block for medicinal chemists.

In recent years, 2-bromo-4-fluorobenzene-1-sulfonamide has been extensively studied for its potential applications in the development of novel therapeutic agents. One of the most promising areas of research is its use in anticancer drug discovery. The bromine and fluorine substituents provide handles for further chemical modification, allowing researchers to design molecules that can selectively target cancer cells. For instance, studies have shown that derivatives of this compound can inhibit key enzymes involved in tumor proliferation and angiogenesis.

Another significant area of interest is the antimicrobial activity of 2-bromo-4-fluorobenzene-1-sulfonamide. Sulfonamides have a long history as antimicrobial agents, and the structural modifications introduced by bromine and fluorine can enhance their efficacy against resistant bacterial strains. Recent research has highlighted its potential in combating multidrug-resistant pathogens, making it a candidate for inclusion in new antibiotic regimens.

The synthesis of 2-bromo-4-fluorobenzene-1-sulfonamide involves multi-step organic reactions that require precise control over reaction conditions. The bromination and fluorination steps are particularly critical, as they determine the final properties of the compound. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions, have been employed to achieve high yields and purity. These techniques not only improve efficiency but also minimize waste, aligning with modern green chemistry principles.

The pharmacokinetic properties of 2-bromo-4-fluorobenzene-1-sulfonamide are also subjects of intense investigation. Researchers are exploring how the bromine and fluorine substituents affect absorption, distribution, metabolism, and excretion (ADME) profiles. Understanding these properties is essential for optimizing drug delivery systems and improving therapeutic outcomes. Preclinical studies have demonstrated that this compound exhibits favorable pharmacokinetic characteristics when administered orally or intravenously.

In addition to its pharmaceutical applications, 2-bromo-4-fluorobenzene-1-sulfonamide has shown promise in material science research. The unique electronic properties conferred by halogen substitution make it a candidate for use in organic semiconductors and liquid crystal displays (LCDs). By tuning the electronic structure through further functionalization, scientists aim to develop novel materials with enhanced performance characteristics.

The regulatory landscape for compounds like 2-bromo-4-fluorobenzene-1-sulfonamide is stringent but well-established. Manufacturers must adhere to Good Manufacturing Practices (GMP) to ensure consistency and safety. Additionally, comprehensive toxicological studies are conducted to assess potential side effects before clinical trials can begin. These rigorous standards ensure that only compounds with demonstrated safety and efficacy reach patients.

Future directions in the study of 2-bromo-4-fluorobenzene-1-sulfonamide include exploring its role in precision medicine. By integrating genomic data with pharmacological insights, researchers can develop personalized treatments tailored to individual patient profiles. This approach holds particular promise for cancers and infectious diseases, where genetic variability plays a significant role in disease progression.

The economic impact of developing drugs based on 2-bromo-4-fluorobenzene-1-sulfonamide cannot be overstated. Pharmaceutical companies invest heavily in research and development (R&D) to bring new therapies to market. Collaborations between academia and industry are crucial for translating laboratory discoveries into viable clinical candidates. Such partnerships accelerate innovation while reducing costs through shared resources and expertise.

In conclusion,2-bromo-4-fluorobenzene-1-sulfonamide (CAS No. 351003-60-6) is a multifaceted compound with significant potential across multiple disciplines including pharmaceuticals, material science, and biotechnology. Its unique structural features make it an invaluable tool for researchers seeking to develop novel therapeutics and advanced materials. As scientific understanding continues to evolve,2-bromo-4-fluorobenzene-1-sulfonamide will undoubtedly play a pivotal role in shaping the future of medicine and technology.

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