CAS 1354952-54-7

1-(2-Isocyanatoethyl)-2-nitrobenzene

Description:

1-(2-Isocyanatoethyl)-2-nitrobenzene is an organic compound characterized by the presence of both isocyanate and nitro functional groups. It features a nitro group attached to a benzene ring, which contributes to its reactivity and potential applications in various chemical syntheses. The isocyanate group is known for its ability to react with nucleophiles, making this compound useful in the production of polyurethanes and other polymers. The presence of the ethyl chain linking the isocyanate to the nitro-substituted benzene enhances its solubility and reactivity. This compound may exhibit toxicity and should be handled with care, as isocyanates are known irritants and can pose health risks upon exposure. Additionally, its unique structure may impart specific physical properties, such as melting and boiling points, which are influenced by the molecular interactions of the functional groups. Overall, 1-(2-Isocyanatoethyl)-2-nitrobenzene is a valuable intermediate in organic synthesis, particularly in the development of specialty chemicals and materials.

Formula: C₉H₈N₂O₃

InChI: InChI=1S/C9H8N2O3/c12-7-10-6-5-8-3-1-2-4-9(8)11(13)14/h1-4H,5-6H2

InChI key: InChIKey=ASPBFBMEOAEJNS-UHFFFAOYSA-N

SMILES: C(CN=C=O)C1=C(N(=O)=O)C=CC=C1

Synonyms:

• Benzene, 1-(2-isocyanatoethyl)-2-nitro-
• 1-(2-Isocyanatoethyl)-2-nitrobenzene