CAS 730964-58-6

2,4-Dichloro-1-(isocyanomethyl)benzene

Description:

2,4-Dichloro-1-(isocyanomethyl)benzene, with the CAS number 730964-58-6, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with two chlorine atoms at the 2 and 4 positions and an isocyanomethyl group at the 1 position. This compound is typically a solid at room temperature and may exhibit a crystalline appearance. Its molecular structure suggests potential reactivity due to the presence of the isocyanomethyl group, which can participate in various chemical reactions, including nucleophilic additions. The dichloro substituents can influence the compound's electronic properties and reactivity, making it of interest in synthetic organic chemistry. Additionally, the presence of chlorine atoms may impart certain physical properties, such as increased density and potential solubility in organic solvents. Safety considerations are important when handling this compound, as it may pose health risks, including toxicity and environmental hazards. Proper safety protocols should be followed to mitigate exposure risks.

Formula: C₈H₅Cl₂N

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

InChI key: InChIKey=NBHOIQKHEWJXER-UHFFFAOYSA-N

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

Synonyms:

• 2,4-Dichloro-1-(isocyanomethyl)benzene
• Benzene, 2,4-dichloro-1-(isocyanomethyl)-
• 2,4-Dichlorobenzylisocyanide