CAS 730971-40-1

1,3-Dibromo-2-isocyano-5-methylbenzene

Description:

1,3-Dibromo-2-isocyano-5-methylbenzene, with the CAS number 730971-40-1, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with two bromine atoms, an isocyano group, and a methyl group. The presence of the isocyano functional group (-N≡C) indicates that this compound can participate in various chemical reactions, such as nucleophilic addition and cycloaddition. The bromine substituents enhance the compound's reactivity and can influence its physical properties, such as solubility and boiling point. Additionally, the methyl group contributes to the overall hydrophobic character of the molecule. This compound may exhibit interesting electronic properties due to the electron-withdrawing nature of the isocyano group and the electron-donating effect of the methyl group, potentially making it useful in materials science and organic synthesis. Safety data should be consulted, as brominated compounds can pose health risks, and appropriate handling and disposal procedures should be followed.

Formula: C₈H₅Br₂N

InChI: InChI=1S/C8H5Br2N/c1-5-3-6(9)8(11-2)7(10)4-5/h3-4H,1H3

InChI key: InChIKey=AOKOCZWUHBJDPJ-UHFFFAOYSA-N

SMILES: [N+](#[C-])C1=C(Br)C=C(C)C=C1Br

Synonyms:

• Benzene, 1,3-dibromo-2-isocyano-5-methyl-
• 1,3-Dibromo-2-isocyano-5-methylbenzene