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CAS 54132-75-1

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3,5-Dimethylphenyl isocyanate

Description:
3,5-Dimethylphenyl isocyanate is an organic compound characterized by the presence of an isocyanate functional group (-N=C=O) attached to a 3,5-dimethylphenyl group. This compound typically appears as a colorless to pale yellow liquid with a pungent odor. It is known for its reactivity, particularly in forming urethanes and other derivatives through reactions with alcohols and amines. The presence of the isocyanate group makes it a valuable intermediate in the synthesis of various pharmaceuticals, agrochemicals, and polymers. 3,5-Dimethylphenyl isocyanate is also recognized for its potential health hazards; it can be irritating to the skin, eyes, and respiratory system, necessitating proper handling and safety precautions. Additionally, it is important to store this compound in a cool, dry place, away from moisture and incompatible substances, to maintain its stability and prevent hazardous reactions. Overall, its unique structure and reactivity make it a significant compound in organic synthesis and industrial applications.
Formula:C9H9NO
InChI:InChI=1S/C9H9NO/c1-7-3-8(2)5-9(4-7)10-6-11/h3-5H,1-2H3
InChI key:InChIKey=DZSGDHNHQAJZCO-UHFFFAOYSA-N
SMILES:N(=C=O)C1=CC(C)=CC(C)=C1
Synonyms:
  • 1-Isocyanato-3,5-Dimethylbenzene
  • 3,5-Dimethyl-1-isocyanatobenzene
  • 3,5-Dimethylphenyl isocyanate
  • 3,5-Xylylisocyanate
  • Benzene, 1-isocyanato-3,5-dimethyl-
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