CAS 730964-52-0

1-Chloro-3-fluoro-2-(isocyanomethyl)benzene

Description:

1-Chloro-3-fluoro-2-(isocyanomethyl)benzene 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 1 and 3 positions, respectively, while the isocyanomethyl group is attached at the 2 position of the benzene ring. This compound is likely to exhibit properties typical of halogenated aromatic compounds, such as increased reactivity due to the presence of electronegative halogens. The isocyanomethyl group introduces a functional group that can participate in various chemical reactions, including nucleophilic addition and polymerization. The presence of both chlorine and fluorine can influence the compound's solubility, stability, and reactivity, making it of interest in synthetic organic chemistry and potentially in materials science. Safety considerations should be taken into account due to the presence of halogens and the isocyanate functional group, which can be toxic and reactive.

Formula: C₈H₅ClFN

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

InChI key: InChIKey=JRPJCZQQHMTREY-UHFFFAOYSA-N

SMILES: C([N+]#[C-])C1=C(Cl)C=CC=C1F

Synonyms:

• 1-Chloro-3-fluoro-2-(isocyanomethyl)benzene
• Benzene, 1-chloro-3-fluoro-2-(isocyanomethyl)-