CAS 1261672-37-0

2-Chloro-5-isocyanatobenzonitrile

Description:

2-Chloro-5-isocyanatobenzonitrile is an organic compound characterized by the presence of both a chloro group 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 functional group, which can participate in various chemical reactions, including nucleophilic addition and polymerization. The chloro substituent can influence the compound's reactivity and solubility in different solvents. It is often used in the synthesis of other chemical compounds, particularly in the development of pharmaceuticals and agrochemicals. Safety precautions are essential when handling this compound, as isocyanates are known to be toxic and can cause respiratory issues upon exposure. Additionally, the compound may have specific regulatory considerations due to its potential environmental and health impacts. Proper storage and handling procedures should be followed to mitigate risks associated with its use.

Formula: C₈H₃ClN₂O

InChI: InChI=1S/C8H3ClN2O/c9-8-2-1-7(11-5-12)3-6(8)4-10/h1-3H

InChI key: InChIKey=CRFHRZUTHFEELM-UHFFFAOYSA-N

SMILES: C(#N)C1=CC(N=C=O)=CC=C1Cl

Synonyms:

• Benzonitrile, 2-chloro-5-isocyanato-
• 2-Chloro-5-isocyanatobenzonitrile