Cas no 886498-35-7 (2,6-DIFLUORO-3-METHOXYBENZONITRILE)

2,6-Difluoro-3-methoxybenzonitrile is a fluorinated aromatic compound characterized by its distinct substitution pattern, featuring fluorine atoms at the 2- and 6-positions and a methoxy group at the 3-position of the benzonitrile scaffold. This structure imparts unique electronic and steric properties, making it a valuable intermediate in pharmaceutical and agrochemical synthesis. The fluorine substituents enhance metabolic stability and lipophilicity, while the nitrile group offers versatility for further functionalization. Its well-defined reactivity profile enables precise modifications in cross-coupling reactions, nucleophilic substitutions, and other transformations. The compound is particularly useful in the development of bioactive molecules, where its structural motifs contribute to improved binding affinity and selectivity.
2,6-DIFLUORO-3-METHOXYBENZONITRILE structure
886498-35-7 structure
Product Name:2,6-DIFLUORO-3-METHOXYBENZONITRILE
CAS No:886498-35-7
MF:C8H5F2NO
MW:169.128208875656
MDL:MFCD04115902
CID:891441
PubChem ID:3791832
Update Time:2025-10-29

2,6-DIFLUORO-3-METHOXYBENZONITRILE Chemical and Physical Properties

Names and Identifiers

    • 2,6-DIFLUORO-3-METHOXYBENZONITRILE
    • DTXSID10396466
    • JS-4262
    • 2,6-difluoro-3-methoxybenzenecarbonitrile
    • FT-0714888
    • AKOS015956989
    • MFCD04115902
    • CS-0319236
    • SCHEMBL3649084
    • 2,6-difluoro-3-methoxy-benzonitrile
    • BXVCAGRBLOMHBH-UHFFFAOYSA-N
    • 886498-35-7
    • DA-01529
    • MDL: MFCD04115902
    • Inchi: 1S/C8H5F2NO/c1-12-7-3-2-6(9)5(4-11)8(7)10/h2-3H,1H3
    • InChI Key: BXVCAGRBLOMHBH-UHFFFAOYSA-N
    • SMILES: FC1C(C#N)=C(C=CC=1OC)F

Computed Properties

  • Exact Mass: 169.03392011g/mol
  • Monoisotopic Mass: 169.03392011g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 201
  • 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: 1.8
  • Topological Polar Surface Area: 33?2

Experimental Properties

  • Melting Point: 71-73℃
  • Sensitiveness: Air Sensitive

2,6-DIFLUORO-3-METHOXYBENZONITRILE Security Information

  • HazardClass:6.1

2,6-DIFLUORO-3-METHOXYBENZONITRILE Pricemore >>

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abcr
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Additional information on 2,6-DIFLUORO-3-METHOXYBENZONITRILE

Comprehensive Overview of 2,6-Difluoro-3-methoxybenzonitrile (CAS No. 886498-35-7): Properties, Applications, and Industry Insights

2,6-Difluoro-3-methoxybenzonitrile (CAS No. 886498-35-7) is a fluorinated aromatic compound that has garnered significant attention in pharmaceutical and agrochemical research due to its unique structural features. The presence of fluorine atoms and a methoxy group on the benzene ring enhances its reactivity and bioavailability, making it a valuable intermediate in synthetic chemistry. This compound is particularly notable for its role in the development of advanced crop protection agents and pharmaceutical precursors, aligning with the growing demand for sustainable and efficient chemical solutions.

In recent years, the 2,6-Difluoro-3-methoxybenzonitrile market has seen increased interest driven by trends such as green chemistry and precision agriculture. Researchers and manufacturers are exploring its potential in heterocyclic synthesis, where its electron-withdrawing properties facilitate the construction of complex molecular frameworks. Additionally, its compatibility with cross-coupling reactions (e.g., Suzuki-Miyaura or Buchwald-Hartwig) makes it a versatile building block for drug discovery pipelines, addressing queries like "fluorinated benzonitrile applications in medicine" or "methoxybenzonitrile derivatives in agrochemicals."

The physicochemical properties of 2,6-Difluoro-3-methoxybenzonitrile further underscore its industrial relevance. With a molecular formula of C8H5F2NO, it exhibits moderate solubility in organic solvents like dichloromethane and dimethyl sulfoxide (DMSO), while remaining stable under standard storage conditions. These traits are frequently searched in contexts such as "handling fluorinated nitriles in labs" or "solubility data for benzonitrile derivatives," reflecting user needs for practical guidelines.

From an SEO perspective, this compound intersects with high-traffic keywords like "fluorinated aromatic intermediates" and "methoxybenzonitrile synthesis." Its applications in catalysis and material science also align with trending topics such as "sustainable chemical manufacturing" and "high-performance materials." Analytical techniques like HPLC and NMR spectroscopy are commonly employed to verify its purity, addressing frequent queries about "quality control for specialty chemicals."

In conclusion, 2,6-Difluoro-3-methoxybenzonitrile (CAS No. 886498-35-7) represents a critical niche in fine chemistry, bridging academic research and industrial innovation. Its adaptability to modern synthetic methodologies and relevance to life sciences ensure its continued prominence in scientific discourse and commercial applications.

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