CAS 730964-90-6

N-(3-Isocyanophenyl)formamide

Description:

N-(3-Isocyanophenyl)formamide, with the CAS number 730964-90-6, is an organic compound characterized by the presence of both isocyanate and amide functional groups. This compound features a phenyl ring substituted at the meta position with an isocyanate group, which contributes to its reactivity and potential applications in organic synthesis and materials science. The formamide moiety indicates that it can participate in hydrogen bonding, influencing its solubility and interaction with other molecules. Typically, compounds like N-(3-Isocyanophenyl)formamide may exhibit properties such as moderate to high polarity, making them soluble in polar solvents. Its reactivity is primarily attributed to the isocyanate group, which can undergo nucleophilic addition reactions, making it useful in the synthesis of various derivatives. Additionally, the compound may have applications in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. Safety precautions should be observed when handling this compound due to the potential toxicity associated with isocyanates.

Formula: C₈H₆N₂O

InChI: InChI=1S/C8H6N2O/c1-9-7-3-2-4-8(5-7)10-6-11/h2-6H,(H,10,11)

InChI key: InChIKey=MZYAISYVRUNVOL-UHFFFAOYSA-N

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

Synonyms:

• N-(3-Isocyanophenyl)formamide
• Formamide, N-(3-isocyanophenyl)-
• 3-Isocyano-phenylformamide
• 3-ISOCYANOPHENYLFORMAMIDE