CAS 121554-15-2

2-(Hexyloxy)benzonitrile

Description:

2-(Hexyloxy)benzonitrile, with the CAS number 121554-15-2, is an organic compound characterized by a benzene ring substituted with a hexyloxy group and a nitrile group. The hexyloxy group, derived from hexanol, imparts hydrophobic properties, while the nitrile group (-C≡N) contributes to its polarity and potential reactivity. This compound typically exhibits a moderate to high boiling point due to the presence of the aromatic system and the functional groups. It is generally insoluble in water but soluble in organic solvents, reflecting its amphiphilic nature. The presence of the nitrile group can also influence its chemical reactivity, making it a potential candidate for various synthetic applications, including in the development of liquid crystals or as an intermediate in organic synthesis. Additionally, the compound may exhibit specific optical properties, making it useful in materials science. Safety data should be consulted for handling, as compounds with nitrile groups can pose health risks if not managed properly.

Formula: C₁₃H₁₇NO

InChI: InChI=1S/C13H17NO/c1-2-3-4-7-10-15-13-9-6-5-8-12(13)11-14/h5-6,8-9H,2-4,7,10H2,1H3

InChI key: InChIKey=BEIVVUUHIAJYFR-UHFFFAOYSA-N

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

Synonyms:

• 2-(Hexyloxy)benzonitrile
• 2-n-Hexyloxybenzonitrile
• 2-Hexoxybenzonitrile
• Benzonitrile, 2-(hexyloxy)-