Cas no 891843-33-7 (Benzene, 2-bromo-4-ethyl-1-fluoro-)

Technical Introduction: Benzene, 2-bromo-4-ethyl-1-fluoro- 2-Bromo-4-ethyl-1-fluorobenzene is a halogenated aromatic compound featuring bromine, fluorine, and ethyl substituents on a benzene ring. This structure imparts distinct reactivity, making it a valuable intermediate in organic synthesis, particularly in cross-coupling reactions and electrophilic substitutions. The presence of both bromine and fluorine enhances its utility in pharmaceutical and agrochemical applications, where selective functionalization is critical. The ethyl group further contributes to steric and electronic modulation, enabling tailored reactivity. The compound’s well-defined substitution pattern ensures consistent performance in precision synthesis. Suitable for use under controlled conditions, it is typically handled with standard aromatic halide precautions.
Benzene, 2-bromo-4-ethyl-1-fluoro- structure
891843-33-7 structure
Product Name:Benzene, 2-bromo-4-ethyl-1-fluoro-
CAS No:891843-33-7
MF:C8H8BrF
MW:203.051525115967
CID:609617
PubChem ID:18711874
Update Time:2025-10-30

Benzene, 2-bromo-4-ethyl-1-fluoro- Chemical and Physical Properties

Names and Identifiers

    • Benzene, 2-bromo-4-ethyl-1-fluoro-
    • 2-Bromo-4-ethyl-1-fluorobenzene
    • DTXSID90595778
    • CJXWORGKEZAUAP-UHFFFAOYSA-N
    • CS-0195479
    • 891843-33-7
    • 3-Bromo-4-fluoroethylbenzene
    • SCHEMBL2858438
    • 2-Bromo4-ethyl-1-fluorobenzene
    • MFCD11846040
    • EN300-329579
    • E90598
    • MDL: MFCD11846040
    • Inchi: 1S/C8H8BrF/c1-2-6-3-4-8(10)7(9)5-6/h3-5H,2H2,1H3
    • InChI Key: CJXWORGKEZAUAP-UHFFFAOYSA-N
    • SMILES: BrC1=C(C=CC(=C1)CC)F

Computed Properties

  • Exact Mass: 201.97934g/mol
  • Monoisotopic Mass: 201.97934g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 105
  • 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: 3.5
  • Topological Polar Surface Area: 0?2

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Additional information on Benzene, 2-bromo-4-ethyl-1-fluoro-

Benzene, 2-bromo-4-ethyl-1-fluoro- (CAS No. 891843-33-7): An Overview of a Versatile Compound in Chemical and Pharmaceutical Research

Benzene, 2-bromo-4-ethyl-1-fluoro- (CAS No. 891843-33-7) is a multifaceted compound that has garnered significant attention in the fields of chemical and pharmaceutical research due to its unique structural properties and potential applications. This compound, also known as 2-bromo-4-ethyl-1-fluorobenzene, is a derivative of benzene with specific substituents that enhance its reactivity and utility in various synthetic processes.

The molecular formula of 2-bromo-4-ethyl-1-fluorobenzene is C9H9BrF, and its molecular weight is approximately 205.07 g/mol. The presence of a bromine atom, an ethyl group, and a fluorine atom on the benzene ring imparts distinct chemical characteristics to this compound. These substituents not only influence the physical properties of the molecule but also play a crucial role in its reactivity and selectivity in chemical reactions.

In recent years, 2-bromo-4-ethyl-1-fluorobenzene has been extensively studied for its potential use as an intermediate in the synthesis of pharmaceuticals and fine chemicals. The bromine atom serves as a leaving group, making the compound an excellent substrate for various substitution reactions, including Suzuki-Miyaura coupling and palladium-catalyzed cross-coupling reactions. These reactions are fundamental in the development of new drugs and materials with tailored properties.

The ethyl group on the benzene ring provides steric hindrance, which can be advantageous in controlling the regioselectivity of certain reactions. Additionally, the fluorine atom introduces electronic effects that can modulate the reactivity of adjacent functional groups, making 2-bromo-4-ethyl-1-fluorobenzene a valuable building block in organic synthesis.

One of the key applications of Benzene, 2-bromo-4-ethyl-1-fluoro- is in the synthesis of fluorinated compounds, which are increasingly important in pharmaceuticals due to their enhanced biological activity and metabolic stability. Fluorine atoms can significantly alter the pharmacokinetic properties of drugs, improving their efficacy and reducing side effects. For instance, fluorinated derivatives of existing drugs have shown improved bioavailability and reduced toxicity compared to their non-fluorinated counterparts.

In the context of drug discovery, 2-bromo-4-ethyl-1-fluorobenzene has been used as a starting material for the synthesis of novel antiviral agents. Recent studies have demonstrated that compounds derived from this benzene derivative exhibit potent antiviral activity against a range of viral pathogens, including influenza and HIV. The unique combination of bromine, ethyl, and fluorine substituents allows for the design of molecules with high binding affinity to viral targets, making them promising candidates for further development.

Beyond pharmaceutical applications, Benzene, 2-bromo-4-ethyl-1-fluoro- has also found use in materials science. The compound can be employed in the synthesis of advanced polymers and coatings with enhanced thermal stability and mechanical strength. Fluorinated polymers are known for their excellent chemical resistance and low surface energy, making them ideal for applications in electronics, aerospace, and automotive industries.

The safety profile of Benzene, 2-bromo-4-ethyl-1-fluoro- is an important consideration in its use as a chemical intermediate. While benzene derivatives can pose potential health risks if mishandled, proper safety protocols and handling procedures can mitigate these risks. Researchers and industrial chemists must adhere to established guidelines to ensure safe handling and storage of this compound.

In conclusion, Benzene, 2-bromo-4-ethyl-1-fluoro- (CAS No. 891843-33-7) is a versatile compound with significant potential in chemical and pharmaceutical research. Its unique structural features make it an invaluable building block for the synthesis of novel drugs and advanced materials. As research continues to uncover new applications for this compound, it is likely to play an increasingly important role in advancing scientific knowledge and technological innovation.

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