CAS 926239-85-2

5-Bromo-2-isocyanatobenzonitrile

Description:

5-Bromo-2-isocyanatobenzonitrile is an organic compound characterized by the presence of both a bromine atom and an isocyanate functional group attached to a benzene ring that also contains a nitrile group. This compound typically appears as a solid and is known for its reactivity due to the isocyanate group, which can participate in various chemical reactions, including nucleophilic addition and polymerization. The presence of the bromine atom can influence the compound's electronic properties and reactivity, making it useful in synthetic organic chemistry. Additionally, the nitrile group contributes to the compound's polarity and potential solubility in polar solvents. 5-Bromo-2-isocyanatobenzonitrile may be utilized in the synthesis of pharmaceuticals, agrochemicals, or as an intermediate in various chemical reactions. As with many isocyanates, it is important to handle this compound with care due to its potential toxicity and reactivity, particularly in the presence of moisture, which can lead to the formation of urea derivatives.

Formula: C₈H₃BrN₂O

InChI: InChI=1S/C8H3BrN2O/c9-7-1-2-8(11-5-12)6(3-7)4-10/h1-3H

InChI key: InChIKey=GYHCBYZXASLPMS-UHFFFAOYSA-N

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

Synonyms:

• Benzonitrile, 5-bromo-2-isocyanato-
• 5-Bromo-2-isocyanatobenzonitrile