Cas no 33564-68-0 (Benzene,1-bromo-2,3,5,6-tetrafluoro-4-methyl-)

Benzene,1-bromo-2,3,5,6-tetrafluoro-4-methyl- is a fluorinated aromatic compound characterized by its high degree of halogenation, featuring bromine and fluorine substituents on a methyl-substituted benzene ring. This structure imparts enhanced reactivity and stability, making it valuable in synthetic organic chemistry, particularly in cross-coupling reactions and as an intermediate in pharmaceutical and agrochemical applications. The electron-withdrawing effects of the fluorine atoms improve its suitability for nucleophilic aromatic substitution (SNAr) processes. Its well-defined molecular structure ensures consistent performance in specialized reactions, while the presence of bromine offers a versatile handle for further functionalization. This compound is typically handled under controlled conditions due to its reactivity.
Benzene,1-bromo-2,3,5,6-tetrafluoro-4-methyl- structure
33564-68-0 structure
Product Name:Benzene,1-bromo-2,3,5,6-tetrafluoro-4-methyl-
CAS No:33564-68-0
MF:C7H3BrF4
MW:242.996335268021
CID:304295
PubChem ID:17750853
Update Time:2025-10-31

Benzene,1-bromo-2,3,5,6-tetrafluoro-4-methyl- Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-bromo-2,3,5,6-tetrafluoro-4-methyl-
    • 1-bromo-2,3,5,6-tetrafluoro-4-methylbenzene
    • 4-BROMO-2,3,5,6-TETRAFLUOROTOLUENE
    • 1-bromo-4-methyl-2,3,5,6-tetrafluorobenzene
    • 4-Brom-2,3,5,6-tetrafluor-toluol
    • B178
    • EN300-7862865
    • A821841
    • Z277540972
    • DTXSID30590722
    • SCHEMBL5263481
    • 33564-68-0
    • 1-bromanyl-2,3,5,6-tetrakis(fluoranyl)-4-methyl-benzene
    • FT-0617735
    • Inchi: 1S/C7H3BrF4/c1-2-4(9)6(11)3(8)7(12)5(2)10/h1H3
    • InChI Key: CXHWIERFOQRRTJ-UHFFFAOYSA-N
    • SMILES: BrC1=C(C(=C(C)C(=C1F)F)F)F

Computed Properties

  • Exact Mass: 241.93500
  • Monoisotopic Mass: 241.93543g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 150
  • 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: 3.4
  • Topological Polar Surface Area: 0?2

Experimental Properties

  • Density: 1.751
  • Boiling Point: 175.7 °C at 760 mmHg
  • Flash Point: 77.7 °C
  • Refractive Index: 1.47
  • PSA: 0.00000
  • LogP: 3.31390

Benzene,1-bromo-2,3,5,6-tetrafluoro-4-methyl- Customs Data

  • HS CODE:2903999090
  • Customs Data:

    China Customs Code:

    2903999090

    Overview:

    2903999090 Other aromatic halogenated derivatives. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:5.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2903999090 halogenated derivatives of aromatic hydrocarbons VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:5.5% General tariff:30.0%

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Additional information on Benzene,1-bromo-2,3,5,6-tetrafluoro-4-methyl-

Introduction to Benzene,1-bromo-2,3,5,6-tetrafluoro-4-methyl- (CAS No. 33564-68-0)

Benzene,1-bromo-2,3,5,6-tetrafluoro-4-methyl- (CAS No. 33564-68-0) is a specialized organic compound that has garnered significant attention in the field of chemical and pharmaceutical research. This compound, characterized by its unique molecular structure, finds applications in various scientific domains, particularly in the synthesis of advanced materials and pharmaceutical intermediates. The presence of multiple fluorine atoms and a bromine substituent makes it a versatile building block for further chemical modifications.

The molecular structure of Benzene,1-bromo-2,3,5,6-tetrafluoro-4-methyl- consists of a benzene ring substituted with four fluorine atoms at the 2, 3, 5, and 6 positions, along with a bromine atom at the 1 position and a methyl group at the 4 position. This arrangement imparts unique electronic and steric properties to the molecule, making it highly valuable in organic synthesis. The fluorine atoms enhance the compound's stability and reactivity under specific conditions, while the bromine atom provides a site for further functionalization.

In recent years, researchers have been exploring the potential of this compound in the development of novel pharmaceuticals. Its structural features make it an excellent candidate for designing molecules with enhanced binding affinity to biological targets. For instance, studies have shown that derivatives of this compound exhibit promising activity against certain enzymes and receptors involved in disease pathways. This has led to increased interest in its synthesis and characterization.

The synthesis of Benzene,1-bromo-2,3,5,6-tetrafluoro-4-methyl- involves a series of carefully controlled reactions that highlight the importance of precision in organic chemistry. One common synthetic route involves the fluorination of a bromobenzene derivative followed by methylation and additional fluorination steps. These processes require expertise in handling reactive intermediates and understanding the influence of different reaction conditions on product yield and purity.

Recent advancements in fluorination techniques have significantly improved the efficiency and scalability of producing this compound. For example, electrochemical fluorination has emerged as a powerful method for introducing fluorine atoms into aromatic systems with high selectivity. This approach not only reduces waste but also minimizes the need for harsh reagents, aligning with the growing emphasis on sustainable chemistry.

The applications of Benzene,1-bromo-2,3,5,6-tetrafluoro-4-methyl- extend beyond pharmaceuticals into other areas such as materials science. Its unique electronic properties make it suitable for use in organic light-emitting diodes (OLEDs) and other optoelectronic devices. Additionally, researchers are investigating its potential as a precursor for high-performance polymers that exhibit enhanced thermal stability and mechanical strength.

In academic research, this compound has been used as a model system to study the effects of halogen substitution on aromatic ring reactivity. Such studies contribute to a deeper understanding of fundamental chemical principles and can inform the design of more complex molecules with tailored properties. The findings from these investigations often appear in leading scientific journals and are cited by researchers worldwide.

The industrial production of Benzene,1-bromo-2,3,5,6-tetrafluoro-4-methyl- is subject to stringent quality control measures to ensure consistency and reliability. Manufacturers must adhere to Good Manufacturing Practices (GMP) to guarantee that the final product meets the required specifications for downstream applications. This includes rigorous testing for purity levels and the absence of impurities that could affect performance.

As research continues to uncover new applications for this compound, its significance in both academic and industrial settings is likely to grow. Collaborative efforts between chemists, pharmacologists, and materials scientists will be crucial in harnessing its full potential. The development of innovative synthetic methods and application-specific derivatives will further expand its utility across multiple disciplines.

In conclusion,Benzene,1-bromo-2,3,5,6-tetrafluoro-4-methyl-(CAS No.33564—68—0) is a multifaceted compound with broad applications in pharmaceuticals,materials science,and organic synthesis.Its unique structural features make it an invaluable tool for researchers seeking to develop novel materials and drugs.With ongoing advancements in synthetic chemistry,the future looks promising for this versatile molecule.

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