CAS 868860-21-3

1-(Bromomethyl)-2,5-dichloro-4-methylbenzene

Description:

1-(Bromomethyl)-2,5-dichloro-4-methylbenzene, with the CAS number 868860-21-3, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with bromomethyl, dichloro, and methyl groups. The presence of the bromomethyl group indicates that it can participate in nucleophilic substitution reactions, making it a useful intermediate in organic synthesis. The dichloro substituents enhance its reactivity and influence its physical properties, such as solubility and boiling point. This compound is typically a solid at room temperature and may exhibit moderate to high toxicity, necessitating careful handling. Its applications may include use in the synthesis of pharmaceuticals, agrochemicals, or other fine chemicals. Additionally, the presence of chlorine atoms can impart unique electronic properties, affecting its reactivity and interaction with other chemical species. As with many halogenated compounds, environmental considerations regarding its persistence and potential bioaccumulation are important in its application and disposal.

Formula: C₈H₇BrCl₂

InChI: InChI=1S/C8H7BrCl2/c1-5-2-8(11)6(4-9)3-7(5)10/h2-3H,4H2,1H3

InChI key: InChIKey=UNUJFOONZOHGOB-UHFFFAOYSA-N

SMILES: C(Br)C1=C(Cl)C=C(C)C(Cl)=C1

Synonyms:

• 1-(Bromomethyl)-2,5-dichloro-4-methylbenzene
• Benzene, 1-(bromomethyl)-2,5-dichloro-4-methyl-