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CAS 40411-27-6

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5-chloro-2-methylphenyl isocyanate

Description:
5-Chloro-2-methylphenyl isocyanate is an organic compound characterized by the presence of an isocyanate functional group (-N=C=O) attached to a substituted aromatic ring. Its molecular structure features a chlorine atom and a methyl group on the phenyl ring, which influences its reactivity and physical properties. This compound is typically a colorless to pale yellow liquid with a pungent odor, indicative of the isocyanate group. It is known for its reactivity, particularly in forming ureas and carbamates through nucleophilic addition reactions with amines and alcohols. Due to the presence of the isocyanate group, it can be hazardous, exhibiting toxicity and potential irritant effects on the skin, eyes, and respiratory system. Proper handling and storage in a well-ventilated area with appropriate personal protective equipment are essential to mitigate risks. Additionally, it is utilized in the synthesis of various chemical intermediates and materials, particularly in the production of pharmaceuticals and agrochemicals.
Formula:C8H6ClNO
InChI:InChI=1/C8H6ClNO/c1-6-2-3-7(9)4-8(6)10-5-11/h2-4H,1H3
SMILES:Cc1ccc(cc1N=C=O)Cl
Synonyms:
  • 4-Chloro-2-Isocyanato-1-Methylbenzene
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