CAS 80285-16-1
:4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile
Description:
4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile, with the CAS number 80285-16-1, is an organic compound characterized by its unique structure that includes a benzonitrile moiety and a dioxane ring. This compound features a propyl group attached to the dioxane, which contributes to its hydrophobic properties. The presence of the nitrile functional group (-C≡N) indicates that it may exhibit polar characteristics, influencing its solubility and reactivity. Typically, compounds like this can be used in various applications, including pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. The dioxane ring can provide stability and may also participate in hydrogen bonding, affecting the compound's physical properties such as boiling point and melting point. Additionally, the presence of the aromatic ring can enhance the compound's electronic properties, making it potentially useful in electronic materials or as a dye. Overall, the characteristics of this compound make it a subject of interest in both industrial and research settings.
Formula:C14H17NO2
InChI:InChI=1S/C14H17NO2/c1-2-3-12-9-16-14(17-10-12)13-6-4-11(8-15)5-7-13/h4-7,12,14H,2-3,9-10H2,1H3
InChI key:InChIKey=GQPFCPRCGONDNN-UHFFFAOYSA-N
SMILES:C(CC)C1COC(OC1)C2=CC=C(C#N)C=C2
Synonyms:- Benzonitrile, 4-(5-propyl-1,3-dioxan-2-yl)-
- 4-(5-Propyl-1,3-dioxan-2-yl)benzonitrile
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