CAS 1261861-11-3

1-Chloro-4-iodo-2-isocyanatobenzene

Description:

1-Chloro-4-iodo-2-isocyanatobenzene is an organic compound characterized by the presence of a benzene ring substituted with a chlorine atom, an iodine atom, and an isocyanate functional group. The molecular structure indicates that it belongs to the class of halogenated aromatic compounds, which often exhibit unique reactivity due to the presence of halogens. The isocyanate group (-N=C=O) is known for its high reactivity, particularly in forming ureas and carbamates through nucleophilic addition reactions. This compound may be utilized in various applications, including organic synthesis and as an intermediate in the production of pharmaceuticals or agrochemicals. Its physical properties, such as solubility and melting point, can be influenced by the substituents on the benzene ring, particularly the electronegative halogens, which can affect the compound's overall polarity and reactivity. Safety considerations are important when handling this compound, as both chlorine and iodine are hazardous, and isocyanates are known to be toxic and irritants.

Formula: C₇H₃ClINO

InChI: InChI=1S/C7H3ClINO/c8-6-2-1-5(9)3-7(6)10-4-11/h1-3H

InChI key: InChIKey=KPLKLBFLUWJILH-UHFFFAOYSA-N

SMILES: N(=C=O)C1=C(Cl)C=CC(I)=C1

Synonyms:

• 1-Chloro-4-iodo-2-isocyanatobenzene
• Benzene, 1-chloro-4-iodo-2-isocyanato-