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CAS 64411-72-9

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5-chloro-2-isocyanatobenzonitrile

Description:
5-Chloro-2-isocyanatobenzonitrile, with the CAS number 64411-72-9, is an organic compound characterized by the presence of both isocyanate and nitrile functional groups attached to a benzene ring. This compound features a chlorine atom at the 5-position and an isocyanate group at the 2-position relative to the nitrile group. It is typically a solid at room temperature and may exhibit a crystalline structure. The presence of the isocyanate group suggests that it can participate in various chemical reactions, including nucleophilic addition and polymerization, making it useful in the synthesis of more complex organic molecules. Additionally, the chlorine substituent can influence the compound's reactivity and solubility in organic solvents. Due to its functional groups, 5-chloro-2-isocyanatobenzonitrile may also have applications in the production of pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. However, handling this compound requires caution due to the potential toxicity associated with isocyanates.
Formula:C8H3ClN2O
InChI:InChI=1/C8H3ClN2O/c9-7-1-2-8(11-5-12)6(3-7)4-10/h1-3H
SMILES:c1cc(c(cc1Cl)C#N)N=C=O
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