2,4-difluoro-5-nitrobenzonitrile
$300.00
CAS No.: 67152-20-9
Catalog No.: 196641
Purity: 95%
MF: C7H2F2N2O2
MW: 184.101
Storage: 2-8 degree Celsius
SMILES: FC1=C(C#N)C=C(C(=C1)F)[N+](=O)[O-]
Catalog No.: 196641
Purity: 95%
MF: C7H2F2N2O2
MW: 184.101
Storage: 2-8 degree Celsius
SMILES: FC1=C(C#N)C=C(C(=C1)F)[N+](=O)[O-]
2,4-difluoro-5-nitrobenzonitrile; CAS No.: 67152-20-9; 2,4-difluoro-5-nitrobenzonitrile. PROPERTIES: This difluoro-nitro-substituted nitrile features molecular formula C7H3F2NO3 with molecular weight 189.10 g/mol. It generally appears as white to off-white crystalline powder, exhibiting characteristic nitrile and nitro group reactivity. The compound demonstrates solubility in polar aprotic solvents like DMF and DMSO, while being sparingly soluble in methanol. Its melting point ranges between 105-109 C, and it exhibits IR absorption bands corresponding to the nitrile group (~2220 cm??) and nitro group (~1520 and ~1350 cm??). Thermogravimetric analysis reveals decomposition onset above 180 C under nitrogen atmosphere. For optimal stability, 2,4-difluoro-5-nitrobenzonitrile should be stored at -20 C in desiccator containing molecular sieves, protected from atmospheric moisture. As with nitro compounds, it may cause severe skin burns and eye damage; therefore, rigorous containment and personal protection measures are essential during manipulation. APPLICATIONS: The nitro and nitrile functionalities of 2,4-difluoro-5-nitrobenzonitrile make it particularly effective as a building block in pharmaceutical synthesis. It serves as key intermediate in the preparation of antiviral agents, where the nitro group undergoes reduction to amine followed by coupling reactions to form bioactive derivatives as demonstrated in medicinal chemistry research (Antiviral Research). Additionally, the compound participates in the synthesis of fluorescent probes for bioimaging applications, where its nitrile functionality enables conjugation to biomolecules via click chemistry reactions (Bioconjugate Chemistry). In materials science, it functions as monomer for preparing polyacrylonitrile fibers with enhanced thermal stability, where the fluorine substituents contribute to improved flame retardancy and mechanical properties (Polymer Chemistry). Furthermore, the compound serves as starting material in the development of nitrile-based ligands for transition metal catalysis, where its electron-withdrawing substituents influence catalytic activity and selectivity (Catalysis Science & Technology).
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