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CAS 40398-00-3

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2-Chloro-1-isocyanato-4-methylbenzene

Description:
2-Chloro-1-isocyanato-4-methylbenzene, also known as 4-Methyl-2-chlorophenyl 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. Its molecular structure features a chlorine atom at the second position and an isocyanate group at the first position of the aromatic ring, which contributes to its reactivity. This compound is typically a colorless to pale yellow liquid with a distinctive odor. It is known for its potential use in the synthesis of various pharmaceuticals and agrochemicals, owing to the reactivity of the isocyanate group, which can participate in nucleophilic addition reactions. However, it is also important to note that 2-chloro-1-isocyanato-4-methylbenzene can be hazardous, as isocyanates are known to be irritants and sensitizers, posing health risks upon exposure. Proper handling and safety precautions are essential when working with this compound in laboratory or industrial settings.
Formula:C8H6ClNO
InChI:InChI=1S/C8H6ClNO/c1-6-2-3-8(10-5-11)7(9)4-6/h2-4H,1H3
InChI key:InChIKey=QVCZOTVTRWNPAF-UHFFFAOYSA-N
SMILES:N(=C=O)C1=C(Cl)C=C(C)C=C1
Synonyms:
  • 2-Chloro-1-Isocyanato-4-Methylbenzene
  • 3-Chloro-4-isocyanatotoluene
  • Benzene, 2-chloro-1-isocyanato-4-methyl-
  • 2-Chloro-4-methylphenyl isocyanate
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