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CAS 40398-03-6

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1-Chloro-2-isocyanato-4-methylbenzene

Description:
1-Chloro-2-isocyanato-4-methylbenzene, also known as 4-methyl-2-chloro-phenyl isocyanate, is an organic compound characterized by the presence of both a chloro group and an isocyanate functional group attached to a methyl-substituted benzene ring. This compound typically appears as a colorless to pale yellow liquid with a distinctive odor. It is known for its reactivity, particularly due to the isocyanate group, which can participate in various chemical reactions, including nucleophilic addition and polymerization. The presence of the chlorine atom can influence its reactivity and solubility in organic solvents. 1-Chloro-2-isocyanato-4-methylbenzene is utilized in the synthesis of various chemical intermediates and may have applications in the production of pharmaceuticals, agrochemicals, and polymers. However, it is important to handle this compound with care, as isocyanates are known to be toxic and can cause respiratory irritation and sensitization. Proper safety measures should be observed when working with this substance.
Formula:C8H6ClNO
InChI:InChI=1/C8H6ClNO/c1-6-2-3-7(9)8(4-6)10-5-11/h2-4H,1H3
InChI key:InChIKey=VLYGFJNRCFKJOB-UHFFFAOYSA-N
SMILES:N(=C=O)C1=C(Cl)C=CC(C)=C1
Synonyms:
  • 2-Chloro-1-isocyanato-5-methylbenzene
  • 2-Chloro-5-methylphenyl isocyanate
  • Benzene, 1-chloro-2-isocyanato-4-methyl-
  • 1-Chloro-2-isocyanato-4-methylbenzene
  • 2-CHLORO-5-METHYLPHENYL ISOCYANATE 98
  • 4-Chloro-3-isocyanatotoluene
  • 4-Chloro-3-isocyanatotoluene, 1-Chloro-2-isocyanato-4-methylbenzene
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