CAS 730971-39-8

1-Chloro-3-isocyano-2-methoxybenzene

Description:

1-Chloro-3-isocyano-2-methoxybenzene, with the CAS number 730971-39-8, is an organic compound characterized by the presence of a chloro group, an isocyano group, and a methoxy group attached to a benzene ring. Its molecular structure features a chlorine atom at the 1-position, a methoxy group (-OCH3) at the 2-position, and an isocyano group (-N≡C) at the 3-position of the benzene ring. This compound is typically a colorless to pale yellow liquid or solid, depending on its physical state at room temperature. It is known for its reactivity due to the presence of the isocyano functional group, which can participate in various chemical reactions, including nucleophilic additions and cycloadditions. The methoxy group can influence the compound's solubility and reactivity, often enhancing its electron-donating properties. As with many halogenated compounds, it may exhibit specific environmental and health considerations, necessitating careful handling and storage.

Formula: C₈H₆ClNO

InChI: InChI=1S/C8H6ClNO/c1-10-7-5-3-4-6(9)8(7)11-2/h3-5H,2H3

InChI key: InChIKey=MQTWLDLSJMYZHB-UHFFFAOYSA-N

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

Synonyms:

• 1-Chloro-3-isocyano-2-methoxybenzene
• Benzene, 1-chloro-3-isocyano-2-methoxy-