CAS 730964-53-1

1-(Isocyanomethyl)-3-nitrobenzene

Description:

1-(Isocyanomethyl)-3-nitrobenzene, with the CAS number 730964-53-1, is an organic compound characterized by the presence of both isocyanomethyl and nitro functional groups attached to a benzene ring. This compound typically exhibits a yellow to brown color and is known for its potential applications in organic synthesis and materials science. The isocyanomethyl group contributes to its reactivity, making it useful in various chemical reactions, including nucleophilic additions and polymerization processes. The nitro group, known for its electron-withdrawing properties, can influence the compound's reactivity and stability. In terms of solubility, it is generally soluble in organic solvents but may have limited solubility in water. Safety considerations are important, as compounds containing isocyanate groups can be toxic and require careful handling. Overall, 1-(Isocyanomethyl)-3-nitrobenzene is a versatile compound with significant implications in chemical research and industrial applications.

Formula: C₈H₆N₂O₂

InChI: InChI=1S/C8H6N2O2/c1-9-6-7-3-2-4-8(5-7)10(11)12/h2-5H,6H2

InChI key: InChIKey=APIAZFIKCWTACB-UHFFFAOYSA-N

SMILES: C([N+]#[C-])C1=CC(N(=O)=O)=CC=C1

Synonyms:

• 1-(Isocyanomethyl)-3-nitrobenzene
• Benzene, 1-(isocyanomethyl)-3-nitro-