CAS 91639-77-9

2-(Pentyloxy)benzonitrile

Description:

2-(Pentyloxy)benzonitrile, with the CAS number 91639-77-9, is an organic compound characterized by its aromatic structure, which includes a benzene ring substituted with a pentyloxy group and a nitrile functional group. The presence of the pentyloxy group, which consists of a five-carbon alkyl chain attached via an ether linkage, contributes to its hydrophobic properties, while the nitrile group (-C≡N) introduces polarity and potential reactivity. This compound is typically a colorless to pale yellow liquid or solid, depending on its state at room temperature. It may exhibit moderate solubility in organic solvents, but limited solubility in water due to its hydrophobic characteristics. 2-(Pentyloxy)benzonitrile can be utilized in various applications, including as an intermediate in organic synthesis and in the development of pharmaceuticals or agrochemicals. Its chemical behavior can be influenced by the presence of the nitrile group, which can participate in nucleophilic reactions, making it a versatile compound in synthetic chemistry.

Formula: C₁₂H₁₅NO

InChI: InChI=1S/C12H15NO/c1-2-3-6-9-14-12-8-5-4-7-11(12)10-13/h4-5,7-8H,2-3,6,9H2,1H3

InChI key: InChIKey=RSVKAFLJJGCUTP-UHFFFAOYSA-N

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

Synonyms:

• 2-n-Pentoxybenzonitrile
• 2-Pentoxybenzonitrile
• Benzonitrile, o-(pentyloxy)-
• Benzonitrile, 2-(pentyloxy)-
• 2-(Pentyloxy)benzonitrile