CAS 13031-41-9
:4-(Acetyloxy)benzonitrile
Description:
4-(Acetyloxy)benzonitrile, with the CAS number 13031-41-9, is an organic compound characterized by the presence of both an acetyloxy group and a benzonitrile moiety. It features a benzene ring substituted at the para position with a cyano group (-C≡N) and an acetyloxy group (-OCOCH3). This compound typically appears as a crystalline solid and is soluble in organic solvents such as acetone and ethanol, but may have limited solubility in water due to its hydrophobic aromatic structure. The presence of the cyano group imparts notable reactivity, making it useful in various chemical syntheses and applications, including pharmaceuticals and agrochemicals. Additionally, the acetyloxy group can participate in esterification reactions, enhancing its utility in organic synthesis. The compound's properties, such as melting point and boiling point, can vary based on purity and environmental conditions. Overall, 4-(Acetyloxy)benzonitrile is a versatile intermediate in organic chemistry, valued for its functional groups that enable further chemical transformations.
Formula:C9H7NO2
InChI:InChI=1S/C9H7NO2/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5H,1H3
InChI key:InChIKey=CJGXWABHYYJNJH-UHFFFAOYSA-N
SMILES:O(C(C)=O)C1=CC=C(C#N)C=C1
Synonyms:- 4-(Acetyloxy)benzonitrile
- 4-Acetoxybenzonitrile
- 4-Acetyloxybenzonitrile
- Benzonitrile, 4-(acetyloxy)-
- Benzonitrile, p-hydroxy-, acetate
- Benzonitrile, p-hydroxy-, acetate (ester)
- p-Acetoxybenzonitrile
- p-Cyanophenyl acetate
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