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    3058-39-7

    Catalog No. EBD581069

    CAS 3058-39-7

    Name 4-Iodobenzonitrile

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    Basic Information

    Synonyms: 4-Iodobenzonitrile NSC87894 p-Cyanoiodobenzene p-Iodobenzonitrile Benzonitrile,p-iodo-(8CI) 1-Cyano-4-iodobenzene Benzonitrile,4-iodo-

    Molecular Formula: C7H4IN

    Molecular Weight: 229.02

    MDL Number: MFCD00051310

    Categories: Synthetic Chemistry > Organic Building Blocks > Halogenated Compounds Synthetic Chemistry > Organic Building Blocks > Cyano Compounds

    Product Description:
    4-Iodobenzonitrile is an organic compound featuring a benzene ring substituted with an iodine atom and a nitrile (cyano) group at the para positions. It is a white to off-white crystalline solid with a molecular formula of C7H4IN. This compound is a versatile bifunctional building block in organic synthesis. Its primary application is as a key intermediate in the synthesis of more complex molecules, particularly in pharmaceutical and materials chemistry research. The iodine atom serves as an excellent site for cross-coupling reactions (e.g., Suzuki, Sonogashira, Heck reactions), while the nitrile group can be hydrolyzed to carboxylic acids, reduced to amines, or serve as a precursor to heterocycles like tetrazoles. It is frequently used in the preparation of liquid crystals, OLED materials, and various biologically active compounds. The compound should be handled with care in a well-ventilated area, using appropriate personal protective equipment. It is stable under recommended storage conditions but may decompose upon heating to produce toxic fumes, including hydrogen iodide and nitrogen oxides.
    Physical Properties

    Melting Point: 124-128 °C(lit.)

    Boiling Point: 271.6 °C at 760 mmHg

    Flash Point: 118 °C

    Density: 1.91 g/cm3

    Analytical Data

    Appearance: light yellow crystal powder

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