CAS 730964-49-5

4-Chloro-2-fluoro-1-(isocyanomethyl)benzene

Description:

4-Chloro-2-fluoro-1-(isocyanomethyl)benzene, with the CAS number 730964-49-5, is an organic compound characterized by the presence of a benzene ring substituted with a chlorine atom, a fluorine atom, and an isocyanomethyl group. The chlorine and fluorine substituents are located at the para and ortho positions relative to the isocyanomethyl group, respectively. This compound exhibits properties typical of halogenated aromatic compounds, such as increased reactivity due to the presence of electronegative halogens, which can influence its chemical behavior in reactions. The isocyanomethyl group introduces a functional group that can participate in various chemical reactions, including nucleophilic addition and cycloaddition. The compound may be of interest in synthetic organic chemistry and materials science, particularly in the development of pharmaceuticals or agrochemicals. Its physical properties, such as solubility and boiling point, would depend on the specific molecular interactions and the presence of the functional groups. Safety and handling precautions should be observed due to the potential toxicity associated with isocyanates and halogenated compounds.

Formula: C₈H₅ClFN

InChI: InChI=1S/C8H5ClFN/c1-11-5-6-2-3-7(9)4-8(6)10/h2-4H,5H2

InChI key: InChIKey=GNDCANIJQCPNAU-UHFFFAOYSA-N

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

Synonyms:

• 4-Chloro-2-fluoro-1-(isocyanomethyl)benzene
• Benzene, 4-chloro-2-fluoro-1-(isocyanomethyl)-