Cas no 4910-40-1 (4-Methoxytetrafluorobenzyl Bromide)

4-Methoxytetrafluorobenzyl Bromide is a fluorinated aromatic compound featuring a methoxy group and a reactive benzyl bromide moiety. Its key advantages include high reactivity in nucleophilic substitution reactions, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The tetrafluorinated aromatic ring enhances electron-withdrawing properties, improving stability and selectivity in cross-coupling and functionalization reactions. The methoxy group further modulates electronic effects, enabling precise control in synthetic pathways. This compound is particularly useful in the development of fluorinated bioactive molecules, where its structural features contribute to enhanced metabolic stability and lipophilicity. Suitable for controlled environments, it requires handling under inert conditions due to its sensitivity to moisture.
4-Methoxytetrafluorobenzyl Bromide structure
4910-40-1 structure
Product Name:4-Methoxytetrafluorobenzyl Bromide
CAS No:4910-40-1
MF:C8H5BrF4O
MW:273.022315740585
CID:328203
PubChem ID:2775276
Update Time:2025-06-11

4-Methoxytetrafluorobenzyl Bromide Chemical and Physical Properties

Names and Identifiers

    • Benzene,1-(bromomethyl)-2,3,5,6-tetrafluoro-4-methoxy-
    • 4-METHOXYTETRAFLUOROBENZYL BROMIDE
    • 2,3,4,5-TETRAFLUOROBENZOYL CHLORID
    • 2,3,5,6-TETRAFLUORO-4-METHOXYBENZYL BROMIDE
    • 4-Methoxy-2,3,5,6-tetrafluor-benzylbromid
    • 4-Methoxy-2,3,5,6-tetrafluorobenzyl bromide
    • AKOS005255022
    • SCHEMBL1007427
    • 4910-40-1
    • DTXSID90964162
    • 1-(bromomethyl)-2,3,5,6-tetrafluoro-4-methoxybenzene
    • SNPXIYPEWUELMV-UHFFFAOYSA-N
    • FT-0618966
    • MFCD00153200
    • 2,3,5,6-tetrafluoro-4-methoxy-benzyl bromide
    • DB-051600
    • 4-Methoxytetrafluorobenzyl Bromide
    • MDL: MFCD00153200
    • Inchi: 1S/C8H5BrF4O/c1-14-8-6(12)4(10)3(2-9)5(11)7(8)13/h2H2,1H3
    • InChI Key: SNPXIYPEWUELMV-UHFFFAOYSA-N
    • SMILES: BrCC1C(=C(C(=C(C=1F)F)OC)F)F

Computed Properties

  • Exact Mass: 271.94600
  • Monoisotopic Mass: 271.94599g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 178
  • 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: 2.9
  • Topological Polar Surface Area: 9.2?2

Experimental Properties

  • Density: 1.7±0.1 g/cm3
  • Boiling Point: 100 °C
  • Flash Point: 101.8±10.2 °C
  • PSA: 9.23000
  • LogP: 3.14650
  • Sensitiveness: Lachrymatory
  • Vapor Pressure: 0.2±0.4 mmHg at 25°C

4-Methoxytetrafluorobenzyl Bromide Security Information

4-Methoxytetrafluorobenzyl Bromide Customs Data

  • HS CODE:2909309090
  • Customs Data:

    China Customs Code:

    2909309090

    Overview:

    2909309090 Other aromatic ethers and their halogenated derivatives\sulfonation\Nitrated derivative(Including nitrosative derivatives).Regulatory conditions:nothing.VAT:17.0%.Tax refund rate:9.0%.MFN tariff:5.5%.general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2909309090 other aromatic ethers and their halogenated, sulphonated, nitrated or nitrosated derivatives 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 4-Methoxytetrafluorobenzyl Bromide

4-Methoxytetrafluorobenzyl Bromide (CAS No. 4910-40-1): An Overview of Its Properties and Applications in Chemical and Pharmaceutical Research

4-Methoxytetrafluorobenzyl Bromide (CAS No. 4910-40-1) is a versatile compound that has gained significant attention in the fields of chemical and pharmaceutical research due to its unique properties and potential applications. This compound, also known as 4-(methoxytetrafluoromethyl)benzyl bromide, is characterized by its brominated benzyl group and a methoxytetrafluoro substituent, which contribute to its reactivity and functional versatility.

The molecular formula of 4-Methoxytetrafluorobenzyl Bromide is C9H5BrF4O, with a molecular weight of approximately 275.03 g/mol. The compound is a colorless to pale yellow liquid at room temperature and is soluble in common organic solvents such as dichloromethane, acetone, and dimethylformamide (DMF). Its physical and chemical properties make it an attractive reagent for various synthetic transformations and derivatizations.

In the context of organic synthesis, 4-Methoxytetrafluorobenzyl Bromide serves as a valuable building block for the preparation of complex molecules. The bromine atom can be readily displaced by nucleophiles, allowing for the introduction of a wide range of functional groups. This property has been exploited in the synthesis of fluorinated compounds, which are increasingly important in pharmaceuticals due to their enhanced metabolic stability and bioavailability.

Recent studies have highlighted the utility of 4-Methoxytetrafluorobenzyl Bromide in the development of novel therapeutic agents. For instance, a study published in the Journal of Medicinal Chemistry reported the use of this compound in the synthesis of a series of tetrafluorobenzyl derivatives with potent anti-inflammatory activity. The researchers found that these derivatives exhibited significant inhibition of cyclooxygenase-2 (COX-2), a key enzyme involved in the inflammatory response.

Beyond its role in drug discovery, 4-Methoxytetrafluorobenzyl Bromide has also found applications in materials science. Fluorinated compounds are known for their unique surface properties, such as low surface energy and hydrophobicity. These properties make them useful in the development of coatings, adhesives, and other functional materials. A recent study published in Advanced Materials demonstrated the use of 4-Methoxytetrafluorobenzyl Bromide-derived polymers to create superhydrophobic surfaces with excellent self-cleaning properties.

The environmental impact of fluorinated compounds has been a topic of increasing concern. However, careful design and controlled use can mitigate potential risks. Research into greener synthetic methods for producing compounds like 4-Methoxytetrafluorobenzyl Bromide is ongoing, with a focus on reducing waste and improving sustainability. A study published in Green Chemistry described an efficient and environmentally friendly route to synthesize this compound using microwave-assisted reactions, which significantly reduced reaction times and minimized byproduct formation.

In conclusion, 4-Methoxytetrafluorobenzyl Bromide (CAS No. 4910-40-1) is a multifaceted compound with a wide range of applications in chemical and pharmaceutical research. Its unique chemical structure and reactivity make it an invaluable tool for synthetic chemists and materials scientists alike. As research continues to advance, it is likely that new applications for this compound will be discovered, further solidifying its importance in the scientific community.

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