CAS 1020653-46-6

Benzeneacetonitrile, α-formyl-, ion(1-), sodium

Description:

Benzeneacetonitrile, α-formyl-, ion(1-), sodium, identified by CAS number 1020653-46-6, is a chemical compound that features a benzene ring substituted with an acetonitrile group and a formyl group. This compound typically exists as a sodium salt, indicating that it contains a sodium ion associated with the anionic form of the molecule. The presence of the nitrile group (-C≡N) suggests that it may exhibit polar characteristics, contributing to its solubility in polar solvents. The formyl group (-CHO) indicates potential reactivity, particularly in nucleophilic addition reactions. This compound may be utilized in various chemical syntheses or as an intermediate in organic chemistry. Its properties, such as melting point, boiling point, and reactivity, would depend on the specific conditions and the presence of other functional groups. Safety data and handling precautions should be consulted, as compounds with nitrile and aldehyde functionalities can pose health risks. Overall, this compound represents a versatile structure in organic synthesis and materials science.

Formula: C₉H₆NO·Na

InChI: InChI=1S/C9H6NO.Na/c10-6-9(7-11)8-4-2-1-3-5-8;/h1-5,7H;/q-1;+1

InChI key: InChIKey=BRFDMNAYZYMYAW-UHFFFAOYSA-N

SMILES: [C-](C#N)(C=O)C1=CC=CC=C1.[Na+]

Synonyms:

• Atroponitrile, β-hydroxy-, sodium salt
• Benzeneacetonitrile, α-(hydroxymethylene)-, sodium salt (1:1)
• Benzeneacetonitrile, α-(hydroxymethylene)-, ion(1-), sodium (1:1)
• Benzeneacetonitrile, α-formyl-, ion(1-), sodium