CAS 898767-48-1

4-Cyano-δ-oxobenzenepentanenitrile

Description:

4-Cyano-δ-oxobenzenepentanenitrile, with the CAS number 898767-48-1, is a chemical compound characterized by its unique structure that includes a cyano group (-CN) and a ketone functional group (δ-oxo) within a pentane chain. This compound typically exhibits properties associated with nitriles, such as high polarity and potential solubility in polar organic solvents. The presence of the cyano group contributes to its reactivity, making it a candidate for various chemical reactions, including nucleophilic additions and condensation reactions. Additionally, the aromatic ring in its structure can influence its electronic properties, potentially allowing for interactions with other molecules through π-π stacking or dipole-dipole interactions. The compound may be of interest in synthetic organic chemistry, particularly in the development of pharmaceuticals or agrochemicals, due to its functional groups that can be modified or utilized in further chemical transformations. As with many nitriles, it is important to handle this compound with care, considering potential toxicity and environmental impact.

Formula: C₁₂H₁₀N₂O

InChI: InChI=1S/C12H10N2O/c13-8-2-1-3-12(15)11-6-4-10(9-14)5-7-11/h4-7H,1-3H2

InChI key: InChIKey=QODAPABTZAYCQC-UHFFFAOYSA-N

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

Synonyms:

• 4-(4-Cyanobutanoyl)benzonitrile
• Benzenepentanenitrile, 4-cyano-δ-oxo-
• 4-Cyano-δ-oxobenzenepentanenitrile