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CAS 40397-90-8

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3-Chloro-2-methylphenyl isocyanate

Description:
3-Chloro-2-methylphenyl isocyanate is an organic compound characterized by the presence of an isocyanate functional group (-N=C=O) attached to a chlorinated aromatic ring. Its molecular structure includes a chloro substituent at the 3-position and a methyl group at the 2-position of the phenyl ring, contributing to its reactivity and potential applications in organic synthesis. This compound is typically a colorless to pale yellow liquid with a pungent odor, indicative of the isocyanate group, which is known for its high reactivity, particularly with nucleophiles such as amines and alcohols. 3-Chloro-2-methylphenyl isocyanate is used in the synthesis of various pharmaceuticals and agrochemicals, as well as in the production of polymers. Due to the presence of the isocyanate group, it is important to handle this compound with care, as it can be toxic and may cause respiratory irritation or skin sensitization. Proper safety measures, including the use of personal protective equipment, are essential when working with this substance.
Formula:C8H6ClNO
InChI:InChI=1/C8H6ClNO/c1-6-7(9)3-2-4-8(6)10-5-11/h2-4H,1H3
SMILES:Cc1c(cccc1N=C=O)Cl
Synonyms:
  • 1-Chloro-3-Isocyanato-2-Methylbenzene
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