Cas no 916792-09-1 (2-Bromo-4-fluoro-6-methylbenzonitrile)

2-Bromo-4-fluoro-6-methylbenzonitrile is a halogenated aromatic nitrile compound with a molecular formula of C8H5BrFN. This intermediate is characterized by its bromo, fluoro, and methyl substituents on the benzonitrile core, which enhance its reactivity in cross-coupling reactions, nucleophilic substitutions, and other synthetic transformations. The electron-withdrawing nitrile group and halogen atoms make it a versatile building block in pharmaceutical and agrochemical synthesis, particularly for constructing complex heterocycles or functionalized aromatic systems. Its high purity and stability under standard conditions ensure reliable performance in fine chemical applications. The compound is typically handled under inert conditions to preserve its reactivity.
2-Bromo-4-fluoro-6-methylbenzonitrile structure
916792-09-1 structure
Product Name:2-Bromo-4-fluoro-6-methylbenzonitrile
CAS No:916792-09-1
MF:C8H5BrFN
MW:214.03440451622
MDL:MFCD07782071
CID:796943
PubChem ID:34175413
Update Time:2025-10-29

2-Bromo-4-fluoro-6-methylbenzonitrile Chemical and Physical Properties

Names and Identifiers

    • 2-Bromo-4-fluoro-6-methylbenzonitrile
    • 2-bromo-4-fluoro-6-methyl-benzonitrile
    • Benzonitrile,2-bromo-4-fluoro-6-methyl-
    • WT458
    • PubChem4710
    • JHKAGGIPLGOTCY-UHFFFAOYSA-N
    • WT2215
    • RW3085
    • AS01628
    • FCH1385918
    • CM12971
    • AM62140
    • SY030149
    • BC002812
    • Benzonitrile, 2-bromo-4-fluoro-6-methyl
    • 2-Bromo-4-fluoro-6-methylbenzonitrile (ACI)
    • CS-W003434
    • DS-13027
    • SCHEMBL1869567
    • DTXSID80652920
    • AC-1961
    • MFCD07782071
    • J-508289
    • AKOS005063894
    • 916792-09-1
    • DB-008173
    • MDL: MFCD07782071
    • Inchi: 1S/C8H5BrFN/c1-5-2-6(10)3-8(9)7(5)4-11/h2-3H,1H3
    • InChI Key: JHKAGGIPLGOTCY-UHFFFAOYSA-N
    • SMILES: N#CC1C(C)=CC(F)=CC=1Br

Computed Properties

  • Exact Mass: 212.95900
  • Monoisotopic Mass: 212.959
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 186
  • 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: 23.8
  • XLogP3: 2.8

Experimental Properties

  • Density: 1.59
  • Boiling Point: 283.7°C at 760 mmHg
  • Flash Point: 125.4°C
  • Refractive Index: 1.566
  • PSA: 23.79000
  • LogP: 2.76828

2-Bromo-4-fluoro-6-methylbenzonitrile Customs Data

  • HS CODE:2926909090
  • Customs Data:

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

2-Bromo-4-fluoro-6-methylbenzonitrile Pricemore >>

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Additional information on 2-Bromo-4-fluoro-6-methylbenzonitrile

Comprehensive Guide to 2-Bromo-4-fluoro-6-methylbenzonitrile (CAS No. 916792-09-1): Properties, Applications, and Industry Insights

2-Bromo-4-fluoro-6-methylbenzonitrile (CAS No. 916792-09-1) is a specialized halogenated benzonitrile derivative that has garnered significant attention in pharmaceutical and agrochemical research. This compound, characterized by its bromine, fluorine, and methyl substituents, serves as a versatile building block in organic synthesis. Its unique molecular structure enables precise modifications, making it invaluable for developing high-performance materials and bioactive molecules.

In recent years, the demand for fluorinated aromatic compounds like 2-Bromo-4-fluoro-6-methylbenzonitrile has surged due to their enhanced metabolic stability and lipophilicity—properties critical in drug discovery. Researchers frequently search for "fluorinated nitriles in medicinal chemistry" or "brominated benzonitrile applications," reflecting its relevance in designing kinase inhibitors and antimicrobial agents. The compound’s electron-withdrawing groups also make it a candidate for organic electronics, aligning with trends in flexible electronics and OLED technologies.

Synthetically, CAS No. 916792-09-1 is prepared via palladium-catalyzed cross-coupling or nucleophilic aromatic substitution, methods often queried as "synthesis of bromo-fluoro benzonitriles." Its crystalline form and stability under ambient conditions are frequently discussed in forums focusing on scale-up challenges for fine chemicals. Analytical techniques like HPLC and NMR are essential for purity verification, a topic of interest for quality control professionals.

From an industrial perspective, 2-Bromo-4-fluoro-6-methylbenzonitrile aligns with the push toward sustainable halogenation methods. Searches for "green chemistry in halogenated intermediates" highlight the need for eco-friendly bromination protocols. Companies leveraging this compound often emphasize its role in high-value crop protection products, addressing global food security concerns—a hot topic in agrochemical innovation.

Regulatory compliance for 916792-09-1 remains straightforward, as it falls outside restricted categories. However, users frequently inquire about "handling halogenated nitriles safely," underscoring the importance of proper lab practices. The compound’s low acute toxicity profile, as per available SDS data, makes it a pragmatic choice for industrial applications.

In summary, 2-Bromo-4-fluoro-6-methylbenzonitrile exemplifies the intersection of structural precision and functional adaptability. Its utility spans drug development, materials science, and agrochemicals, resonating with current searches for "multifunctional aromatic nitriles" and "halogenated building blocks." As research advances, this compound is poised to play a pivotal role in next-generation scientific breakthroughs.

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