CAS 1125-42-4

1,3-Dichloro-2-(isocyanomethyl)benzene

Description:

1,3-Dichloro-2-(isocyanomethyl)benzene, with the CAS number 1125-42-4, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with two chlorine atoms and an isocyanomethyl group. The presence of chlorine atoms introduces significant polarity and reactivity, making it a potential candidate for various chemical reactions, including nucleophilic substitutions. The isocyanomethyl group contributes to its functionality, as isocyanides are known for their versatility in organic synthesis, particularly in the formation of carbon-nitrogen bonds. This compound is typically a colorless to pale yellow liquid or solid, depending on its specific form and purity. It is important to handle this substance with care due to its potential toxicity and environmental impact. As with many chlorinated compounds, it may pose risks related to persistence in the environment and bioaccumulation. Proper safety measures, including the use of personal protective equipment and adherence to regulatory guidelines, are essential when working with this chemical.

Formula: C₈H₅Cl₂N

InChI: InChI=1S/C8H5Cl2N/c1-11-5-6-7(9)3-2-4-8(6)10/h2-4H,5H2

InChI key: InChIKey=QKCSUBYJALFAQB-UHFFFAOYSA-N

SMILES: C([N+]#[C-])C1=C(Cl)C=CC=C1Cl

Synonyms:

• Benzyl isocyanide, 2,6-dichloro-
• 1,3-Dichloro-2-(isocyanomethyl)benzene
• Benzene, 1,3-dichloro-2-(isocyanomethyl)-