CAS 1261617-17-7

1-Bromo-3-isocyanato-5-methoxybenzene

Description:

1-Bromo-3-isocyanato-5-methoxybenzene is an organic compound characterized by the presence of a bromine atom, an isocyanate functional group, and a methoxy substituent on a benzene ring. The molecular structure features a bromine atom at the 1-position, an isocyanate group (-N=C=O) at the 3-position, and a methoxy group (-OCH3) at the 5-position of the aromatic ring. This compound is likely to exhibit reactivity typical of both isocyanates and brominated compounds, making it useful in various synthetic applications, including the preparation of more complex organic molecules. The presence of the methoxy group may influence its solubility and reactivity, potentially enhancing its nucleophilicity or electrophilicity depending on the reaction conditions. Additionally, due to the isocyanate group, it may participate in reactions such as nucleophilic addition or polymerization. Safety precautions should be taken when handling this compound, as isocyanates are known to be toxic and can cause respiratory irritation.

Formula: C₈H₆BrNO₂

InChI: InChI=1S/C8H6BrNO2/c1-12-8-3-6(9)2-7(4-8)10-5-11/h2-4H,1H3

InChI key: InChIKey=RFWVVACVDKPEJV-UHFFFAOYSA-N

SMILES: N(=C=O)C1=CC(OC)=CC(Br)=C1

Synonyms:

• Benzene, 1-bromo-3-isocyanato-5-methoxy-
• 1-Bromo-3-isocyanato-5-methoxybenzene