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CAS 13471-68-6

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2-methyl-5-nitrophenyl isocyanate

Description:
2-Methyl-5-nitrophenyl isocyanate is an organic compound characterized by the presence of an isocyanate functional group (-N=C=O) attached to a phenyl ring that is further substituted with a methyl group and a nitro group. This compound typically appears as a yellow to brownish liquid or solid, depending on its purity and temperature. It is known for its reactivity, particularly in forming urethane linkages when reacting with alcohols or amines, making it valuable in the synthesis of various polymers and pharmaceuticals. The nitro group contributes to its electrophilic character, enhancing its reactivity in nucleophilic substitution reactions. Additionally, 2-methyl-5-nitrophenyl isocyanate is considered hazardous; it can be toxic and irritating to the skin, eyes, and respiratory system, necessitating careful handling and appropriate safety measures in laboratory and industrial settings. Its applications span across organic synthesis, agrochemicals, and materials science, where it serves as an intermediate in the production of more complex chemical entities.
Formula:C8H6N2O3
InChI:InChI=1/C8H6N2O3/c1-6-2-3-7(10(12)13)4-8(6)9-5-11/h2-4H,1H3
SMILES:Cc1ccc(cc1N=C=O)N(=O)=O
Synonyms:
  • 4-Nitro-2-isocyanatotoluene
  • 2-Isocyanato-1-Methyl-4-Nitrobenzene
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