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CAS 40398-01-4

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2-Chloro-6-methylphenyl isocyanate

Description:
2-Chloro-6-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 features a chlorine atom and a methyl group positioned on a phenyl ring, specifically at the 2 and 6 positions, respectively. This compound is typically a colorless to pale yellow liquid with a pungent odor, indicative of its reactivity. It is known for its use in the synthesis of various pharmaceuticals and agrochemicals, owing to the isocyanate group, which can participate in nucleophilic addition reactions. The compound is sensitive to moisture and can hydrolyze to form corresponding amines and carbon dioxide. Safety precautions are essential when handling this substance, as it can be toxic and irritant to skin and respiratory systems. Proper storage in a cool, dry place, away from incompatible materials, is crucial to maintain its stability and prevent hazardous reactions.
Formula:C8H6ClNO
InChI:InChI=1/C8H6ClNO/c1-6-3-2-4-7(9)8(6)10-5-11/h2-4H,1H3
SMILES:Cc1cccc(c1N=C=O)Cl
Synonyms:
  • 1-Chloro-2-isocyanato-3-methylbenzene
  • Benzene, 1-chloro-2-isocyanato-3-methyl-
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