Cas no 1345471-69-3 (1-bromo-5-fluoro-4-methyl-2-nitrobenzene)

1-Bromo-5-fluoro-4-methyl-2-nitrobenzene is a halogenated aromatic compound featuring a bromo, fluoro, methyl, and nitro substituent on a benzene ring. Its well-defined structure makes it a valuable intermediate in organic synthesis, particularly in the preparation of pharmaceuticals, agrochemicals, and specialty materials. The presence of multiple functional groups allows for selective reactivity in cross-coupling reactions, nucleophilic substitutions, and further derivatization. The electron-withdrawing nitro and halogen groups enhance its utility in electrophilic aromatic substitution and metal-catalyzed transformations. This compound is characterized by high purity and stability, ensuring consistent performance in research and industrial applications. Proper handling is advised due to its potential reactivity under certain conditions.
1-bromo-5-fluoro-4-methyl-2-nitrobenzene structure
1345471-69-3 structure
Product Name:1-bromo-5-fluoro-4-methyl-2-nitrobenzene
CAS No:1345471-69-3
MF:C7H5BrFNO2
MW:234.0225045681
MDL:MFCD11042845
CID:1236153
Update Time:2025-06-07

1-bromo-5-fluoro-4-methyl-2-nitrobenzene Chemical and Physical Properties

Names and Identifiers

    • 1-Bromo-5-fluoro-4-methyl-2-nitrobenzene
    • ACMC-209bvi
    • CTK8B0241
    • 4-bromo-2-fluoro-5-nitrotoluene
    • MolPort-020-003-156
    • ANW-19660
    • KB-72145
    • 1-bromo-5-fluoro-4-methyl-2-nitrobenzene
    • MDL: MFCD11042845
    • Inchi: 1S/C7H5BrFNO2/c1-4-2-7(10(11)12)5(8)3-6(4)9/h2-3H,1H3
    • InChI Key: TVQLPBXVLOYFQS-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(C)=CC=1[N+](=O)[O-])F

Computed Properties

  • Exact Mass: 232.94900
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1

Experimental Properties

  • PSA: 45.82000
  • LogP: 3.32800

1-bromo-5-fluoro-4-methyl-2-nitrobenzene Customs Data

  • HS CODE:2904909090
  • Customs Data:

    China Customs Code:

    2904909090

    Overview:

    2904909090 Sulfonation of other hydrocarbons\nitrification\Nitrosative derivative(Whether halogenated or not). 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:

    HS:2904909090 sulphonated, nitrated or nitrosated derivatives of hydrocarbons, whether or not halogenated 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 1-bromo-5-fluoro-4-methyl-2-nitrobenzene

1-Bromo-5-Fluoro-4-Methyl-2-Nitrobenzene (CAS No. 1345471-69-3)

1-Bromo-5-fluoro-4-methyl-2-nitrobenzene, identified by the CAS registry number 1345471-69-3, is a highly specialized aromatic compound with a complex structure that has garnered significant attention in the fields of organic chemistry, materials science, and pharmacology. This compound is characterized by its unique substitution pattern on the benzene ring, featuring bromine, fluorine, methyl, and nitro groups at specific positions. The combination of these substituents imparts distinctive electronic and steric properties to the molecule, making it a valuable building block in various chemical syntheses and applications.

The synthesis of 1-bromo-5-fluoro-4-methyl-2-nitrobenzene typically involves multi-step processes that require precise control over reaction conditions to achieve the desired regioselectivity and yield. Recent advancements in catalytic methods and green chemistry have enabled more efficient and environmentally friendly routes for its production. For instance, researchers have explored the use of palladium-catalyzed cross-coupling reactions to introduce the bromine substituent at the para position relative to the nitro group. Similarly, fluorination techniques have been optimized to minimize side reactions and improve the overall purity of the product.

In terms of applications, 1-bromo-5-fluoro-4-methyl-2-nitrobenzene has found utility in the development of advanced materials, particularly in the synthesis of high-performance polymers and organic semiconductors. The nitro group acts as an electron-withdrawing substituent, enhancing the electronic conductivity of materials derived from this compound. Recent studies have demonstrated its potential as a precursor for fabricating lightweight, flexible electronics with improved charge transport properties.

Beyond materials science, this compound has also been investigated for its pharmacological properties. The combination of bromine and fluorine substituents contributes to its bioavailability and stability in biological systems. Preclinical studies have shown that derivatives of 1-bromo-5-fluoro-4-methyl-2-nitrobenzene exhibit promising anti-inflammatory and antioxidant activities, suggesting their potential as leads for drug discovery programs targeting chronic diseases such as neurodegenerative disorders and cardiovascular conditions.

The structural versatility of 1-bromo-5-fluoro-4-methyl-2-nitrobenzene also makes it an ideal candidate for exploring novel chemical transformations. For example, recent research has focused on its use in tandem reactions where multiple functional groups are introduced or modified in a single pot. Such approaches not only streamline synthetic pathways but also reduce waste generation, aligning with sustainable chemistry principles.

In conclusion, 1-bromo-5-fluoro-4-methyl-2-nitrobenzene (CAS No. 1345471-69-) stands as a testament to the ingenuity of modern chemical synthesis and its wide-ranging applications across diverse scientific disciplines. As research continues to uncover new possibilities for this compound, it is poised to play an increasingly important role in advancing both academic and industrial endeavors.

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