CAS 1261760-70-6

3-Hydroxy-2-nitrobenzeneacetonitrile

Description:

3-Hydroxy-2-nitrobenzeneacetonitrile, identified by its CAS number 1261760-70-6, is an organic compound characterized by the presence of both a hydroxyl group (-OH) and a nitro group (-NO2) attached to a benzene ring, along with an acetonitrile functional group (-C≡N). This compound typically exhibits a crystalline solid form and is soluble in polar organic solvents due to its functional groups. The hydroxyl group contributes to its potential as a hydrogen bond donor, while the nitro group can enhance its reactivity, making it a candidate for various chemical reactions, including nucleophilic substitutions. The presence of the acetonitrile moiety suggests potential applications in organic synthesis and as an intermediate in the production of pharmaceuticals or agrochemicals. Additionally, the compound's properties, such as melting point, boiling point, and reactivity, can vary based on environmental conditions and the presence of other chemical species. Safety data should be consulted for handling and storage, as nitro compounds can be sensitive to heat and shock.

Formula: C₈H₆N₂O₃

InChI: InChI=1S/C8H6N2O3/c9-5-4-6-2-1-3-7(11)8(6)10(12)13/h1-3,11H,4H2

InChI key: InChIKey=BTILMNIPDKCSEI-UHFFFAOYSA-N

SMILES: N(=O)(=O)C1=C(CC#N)C=CC=C1O

Synonyms:

• Benzeneacetonitrile, 3-hydroxy-2-nitro-
• 3-Hydroxy-2-nitrobenzeneacetonitrile