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CAS 74800-54-7

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4-(5-Butyl-1,3-dioxan-2-yl)benzonitrile

Description:
4-(5-Butyl-1,3-dioxan-2-yl)benzonitrile, with the CAS number 74800-54-7, is an organic compound characterized by its unique structure that includes a benzonitrile moiety and a dioxane ring. The presence of the butyl group contributes to its hydrophobic properties, while the dioxane ring can influence its solubility and reactivity. This compound is likely to exhibit moderate polarity due to the nitrile functional group, which can participate in hydrogen bonding and dipole interactions. The dioxane ring may also provide stability and influence the compound's overall conformation. In terms of applications, compounds like this can be of interest in pharmaceuticals, agrochemicals, or as intermediates in organic synthesis. Its specific properties, such as melting point, boiling point, and reactivity, would depend on the molecular interactions and the environment in which it is used. As with many organic compounds, safety data and handling precautions should be considered when working with this substance.
Formula:C15H19NO2
InChI:InChI=1S/C15H19NO2/c1-2-3-4-13-10-17-15(18-11-13)14-7-5-12(9-16)6-8-14/h5-8,13,15H,2-4,10-11H2,1H3
InChI key:InChIKey=ZCZHIMLDHBRGMF-UHFFFAOYSA-N
SMILES:C(CCC)C1COC(OC1)C2=CC=C(C#N)C=C2
Synonyms:
  • 4-(5-Butyl-1,3-dioxan-2-yl)benzonitrile
  • Benzonitrile, 4-(5-butyl-1,3-dioxan-2-yl)-
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