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CAS 56651-59-3

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Benzene, 1-(isocyanatomethyl)-2,4-dimethyl-

Description:
Benzene, 1-(isocyanatomethyl)-2,4-dimethyl- is an organic compound characterized by its aromatic benzene ring substituted with an isocyanatomethyl group and two methyl groups at the 2 and 4 positions. This compound features a molecular structure that includes a benzene core, which contributes to its stability and unique chemical properties. The isocyanate functional group (-N=C=O) is known for its reactivity, particularly in forming urethanes and other derivatives through nucleophilic addition reactions. The presence of the methyl groups enhances the compound's hydrophobicity and can influence its reactivity and solubility in various solvents. As a chemical substance, it may pose health risks, including potential toxicity and irritant effects, necessitating careful handling and appropriate safety measures in laboratory or industrial settings. Its applications may extend to the synthesis of polymers, coatings, or other chemical intermediates, although specific uses would depend on further research and regulatory assessments.
Formula:C10H11NO
InChI:InChI=1S/C10H11NO/c1-8-3-4-10(6-11-7-12)9(2)5-8/h3-5H,6H2,1-2H3
InChI key:InChIKey=ATLVTMVEYQOHCH-UHFFFAOYSA-N
SMILES:C(N=C=O)C1=C(C)C=C(C)C=C1
Synonyms:
  • 2,4-Dimethylbenzyl isocyanate
  • 1-(Isocyanatomethyl)-2,4-dimethylbenzene
  • Isocyanic acid, 2,4-dimethylbenzyl ester
  • Benzene, 1-(isocyanatomethyl)-2,4-dimethyl-
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