CAS 13312-82-8

α-Hydroxy-3-nitrobenzeneacetonitrile

Description:

α-Hydroxy-3-nitrobenzeneacetonitrile, with the CAS number 13312-82-8, is an organic compound characterized by the presence of both a hydroxyl group and a nitrile functional group attached to a benzene ring. This compound typically exhibits a pale yellow to light brown appearance and is soluble in polar organic solvents. The presence of the nitro group contributes to its reactivity, making it a potential intermediate in various chemical syntheses, particularly in the production of pharmaceuticals and agrochemicals. Its hydroxyl group can participate in hydrogen bonding, influencing its physical properties such as boiling and melting points. Additionally, the nitrile group can undergo hydrolysis or nucleophilic substitution reactions, further expanding its utility in organic synthesis. Safety data indicates that, like many nitro compounds, it should be handled with care due to potential toxicity and environmental hazards. Overall, α-Hydroxy-3-nitrobenzeneacetonitrile is a versatile compound with significant applications in chemical research and industry.

Formula: C₈H₆N₂O₃

InChI: InChI=1S/C8H6N2O3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4,8,11H

InChI key: InChIKey=IBMWJEGPSVVIOM-UHFFFAOYSA-N

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

Synonyms:

• (m-Nitrophenyl)glycolonitrile
• 3-Nitrobenzaldehyde cyanohydrin
• Mandelonitrile, m-nitro-
• α-Hydroxy-3-nitrobenzeneacetonitrile
• Benzeneacetonitrile, α-hydroxy-3-nitro-