Cas no 502496-34-6 (5-bromo-1-fluoro-2-methyl-3-nitro-benzene)

5-Bromo-1-fluoro-2-methyl-3-nitro-benzene is a halogenated aromatic compound featuring bromine, fluorine, and nitro functional groups on a methyl-substituted benzene ring. Its unique substitution pattern makes it a valuable intermediate in organic synthesis, particularly for pharmaceutical and agrochemical applications. The presence of both electron-withdrawing (nitro, fluoro) and electron-donating (methyl) groups enhances its reactivity in selective substitution and coupling reactions. The bromine atom serves as a versatile handle for further functionalization via cross-coupling methodologies. This compound is characterized by high purity and stability, ensuring consistent performance in demanding synthetic processes. Its well-defined structure facilitates precise modifications in complex molecular architectures.
5-bromo-1-fluoro-2-methyl-3-nitro-benzene structure
502496-34-6 structure
Product Name:5-bromo-1-fluoro-2-methyl-3-nitro-benzene
CAS No:502496-34-6
MF:C7H5BrFNO2
MW:234.0225045681
MDL:MFCD03094190
CID:830453
PubChem ID:2773387
Update Time:2025-11-02

5-bromo-1-fluoro-2-methyl-3-nitro-benzene Chemical and Physical Properties

Names and Identifiers

    • 4-Bromo-2-fluoro-6-nitrotoluene
    • 4-Bromo-2-fluoro-6-nitrotoluene 5-Bromo-1-fluoro-2-methyl-3-nitro-benzene
    • 5-bromo-1-fluoro-2-methyl-3-nitrobenzene
    • 5-bromo-1-fluoro-2-methyl-3-nitro-benzene
    • MFCD03094190
    • AKOS015920368
    • SCHEMBL561463
    • AS-18880
    • SY025582
    • CS-W004960
    • DTXSID30378426
    • QZUIGBPWEFMEEV-UHFFFAOYSA-N
    • 502496-34-6
    • CL8837
    • MDL: MFCD03094190
    • Inchi: 1S/C7H5BrFNO2/c1-4-6(9)2-5(8)3-7(4)10(11)12/h2-3H,1H3
    • InChI Key: QZUIGBPWEFMEEV-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(C)=C(C=1)[N+](=O)[O-])F

Computed Properties

  • Exact Mass: 232.94900
  • Monoisotopic Mass: 232.949
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 185
  • 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
  • Topological Polar Surface Area: 45.8A^2
  • XLogP3: 2.9

Experimental Properties

  • Density: 1.696
  • Boiling Point: 261.7℃ at 760 mmHg
  • Flash Point: 261.7 °C at 760 mmHg
  • PSA: 45.82000
  • LogP: 3.32800

5-bromo-1-fluoro-2-methyl-3-nitro-benzene Security Information

  • Hazard Statement: Irritant
  • Hazardous Material Identification: Xn Xi

5-bromo-1-fluoro-2-methyl-3-nitro-benzene 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 5-bromo-1-fluoro-2-methyl-3-nitro-benzene

Comprehensive Guide to 5-Bromo-1-Fluoro-2-Methyl-3-Nitro-Benzene (CAS No. 502496-34-6)

5-Bromo-1-fluoro-2-methyl-3-nitro-benzene (CAS 502496-34-6) is a specialized aromatic compound widely used in pharmaceutical and agrochemical research. Its unique structural features, including the presence of bromine, fluorine, and nitro functional groups, make it a valuable intermediate in organic synthesis. Researchers and industry professionals frequently search for 5-bromo-1-fluoro-2-methyl-3-nitro-benzene suppliers, synthesis methods, and applications in drug discovery, reflecting its growing importance in modern chemistry.

The compound's molecular formula is C7H5BrFNO2, with a molecular weight of 234.02 g/mol. Its distinctive multifunctional benzene derivative structure enables diverse chemical transformations, particularly in the development of fluorinated pharmaceuticals—a trending topic due to the increasing demand for fluorine-containing drugs in 2024. The presence of both electron-withdrawing (nitro, fluorine) and electron-donating (methyl) groups creates interesting reactivity patterns that organic chemists exploit for selective substitutions.

Current market trends show heightened interest in halogenated benzene derivatives, with 502496-34-6 gaining attention for its role in creating: PET imaging agents (addressing the global push for advanced diagnostic tools), crop protection chemicals (responding to sustainable agriculture demands), and electronic materials (for next-gen OLED development). These applications align perfectly with Google's "People Also Ask" queries like "How are fluorinated compounds used in medicine?" and "What are nitroaromatics used for?"

From a synthetic chemistry perspective, 5-bromo-1-fluoro-2-methyl-3-nitro-benzene serves as a crucial building block for: Suzuki coupling reactions (highly searched in 2024 for C-C bond formation), nucleophilic aromatic substitutions (facilitated by the fluorine atom), and reductive amination processes. The bromine atom at position 5 makes it particularly valuable for cross-coupling chemistry—a hot topic in pharmaceutical research forums.

Quality specifications for CAS 502496-34-6 typically require ≥98% purity (HPLC), with special attention to residual solvent levels. Analytical techniques like GC-MS, HPLC, and NMR (1H, 13C, 19F) are essential for characterization—keywords frequently appearing in research papers and patent applications. The compound's stability under inert atmosphere makes it suitable for long-term storage, though recommendations suggest protection from light due to the nitro group's photosensitivity.

Environmental and handling considerations for 5-bromo-1-fluoro-2-methyl-nitrobenzene follow standard laboratory protocols for aromatic compounds. While not classified as hazardous under most regulations, proper ventilation is advised during handling—a point emphasized in recent green chemistry discussions. The compound's environmental fate and biodegradation pathways are subjects of ongoing research, particularly regarding fluorinated organic pollutants (a trending environmental concern).

The global market for multifunctional benzene derivatives like 502496-34-6 is projected to grow at 6.2% CAGR (2024-2030), driven by pharmaceutical R&D in North America and Asia-Pacific regions. Patent analysis reveals increasing use in: kinase inhibitor development (cancer therapeutics), herbicide intermediates (addressing food security challenges), and liquid crystal materials (for flexible displays). These applications respond directly to search trends like "new cancer drug intermediates 2024" and "agricultural chemical innovations."

For researchers working with 5-bromo-1-fluoro-2-methyl-3-nitro-benzene, recent literature highlights innovative applications in: metal-organic frameworks (MOFs) for gas storage, fluorescent probes for cellular imaging, and catalysis—all areas experiencing high Google search volumes. The compound's structural versatility continues to inspire novel synthetic routes, with particular interest in flow chemistry and photocatalysis approaches that dominate current chemistry conference topics.

In summary, 5-bromo-1-fluoro-2-methyl-3-nitro-benzene (CAS 502496-34-6) represents a strategically important compound at the intersection of multiple research frontiers. Its value as a pharmaceutical intermediate, combined with emerging applications in materials science and agrochemistry, ensures its continued relevance in scientific and industrial contexts. The compound perfectly illustrates how multifunctional aromatic building blocks address contemporary challenges in drug development, sustainable agriculture, and advanced materials—making it a frequent subject in both academic publications and commercial inquiries.

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