CAS 1261438-70-3

2-Bromo-4-chloro-1-isocyanatobenzene

Description:

2-Bromo-4-chloro-1-isocyanatobenzene, with the CAS number 1261438-70-3, is an organic compound that belongs to the class of isocyanates, which are characterized by the presence of the isocyanate functional group (-N=C=O). This compound features a benzene ring substituted with both bromine and chlorine atoms, contributing to its reactivity and potential applications in organic synthesis. The presence of the isocyanate group makes it a versatile intermediate in the production of various chemicals, including pharmaceuticals and agrochemicals. It is typically a solid at room temperature and may exhibit moderate to high toxicity, necessitating careful handling and storage. The compound's reactivity can lead to the formation of ureas and other derivatives upon reaction with nucleophiles. Additionally, its halogen substituents can influence its physical properties, such as solubility and boiling point, as well as its behavior in chemical reactions. As with many isocyanates, it is important to consider safety measures due to potential health hazards associated with exposure.

Formula: C₇H₃BrClNO

InChI: InChI=1S/C7H3BrClNO/c8-6-3-5(9)1-2-7(6)10-4-11/h1-3H

InChI key: InChIKey=XCRYHMZSKVPZDZ-UHFFFAOYSA-N

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

Synonyms:

• Benzene, 2-bromo-4-chloro-1-isocyanato-
• 2-Bromo-4-chloro-1-isocyanatobenzene