CAS 898778-95-5

3-[3-(1,3-Dioxolan-2-yl)benzoyl]benzonitrile

Description:

3-[3-(1,3-Dioxolan-2-yl)benzoyl]benzonitrile, with the CAS number 898778-95-5, is an organic compound characterized by its complex structure that includes a benzoyl group and a dioxolane moiety. This compound features a dioxolane ring, which is a five-membered cyclic ether containing two oxygen atoms, contributing to its potential reactivity and solubility properties. The presence of the benzonitrile group indicates that it contains a cyano functional group (-C≡N), which can impart significant polarity and influence the compound's interactions in various chemical environments. Typically, compounds like this may exhibit properties such as moderate to high stability under standard conditions, potential solubility in organic solvents, and possible applications in pharmaceuticals or materials science due to their unique structural features. Additionally, the presence of multiple aromatic rings may enhance the compound's electronic properties, making it of interest in fields such as organic electronics or dye chemistry. Overall, the characteristics of this compound suggest a versatile nature suitable for various chemical applications.

Formula: C₁₇H₁₃NO₃

InChI: InChI=1S/C17H13NO3/c18-11-12-3-1-4-13(9-12)16(19)14-5-2-6-15(10-14)17-20-7-8-21-17/h1-6,9-10,17H,7-8H2

InChI key: InChIKey=JWAPFLUHYYSDSA-UHFFFAOYSA-N

SMILES: C(=O)(C=1C=C(C=CC1)C2OCCO2)C3=CC(C#N)=CC=C3

Synonyms:

• Benzonitrile, 3-[3-(1,3-dioxolan-2-yl)benzoyl]-
• 3-[3-(1,3-Dioxolan-2-yl)benzoyl]benzonitrile