CAS 898767-99-2
:3-Iodo-η-oxobenzeneoctanenitrile
Description:
3-Iodo-η-oxobenzeneoctanenitrile, identified by its CAS number 898767-99-2, is a chemical compound that features a complex structure combining an iodo group, a nitrile functional group, and an aromatic ring. The presence of the iodo substituent suggests that this compound may exhibit unique reactivity patterns, particularly in nucleophilic substitution reactions. The nitrile group contributes to the compound's polarity and potential for hydrogen bonding, which can influence its solubility in various solvents. Additionally, the aromatic nature of the benzene ring imparts stability and may allow for π-π stacking interactions in solid-state or solution environments. The overall molecular structure indicates that this compound could be of interest in organic synthesis, medicinal chemistry, or materials science, particularly in the development of novel pharmaceuticals or functional materials. However, specific physical properties such as melting point, boiling point, and solubility would require empirical measurement or detailed literature references for comprehensive characterization.
Formula:C14H16INO
InChI:InChI=1S/C14H16INO/c15-13-8-6-7-12(11-13)14(17)9-4-2-1-3-5-10-16/h6-8,11H,1-5,9H2
InChI key:InChIKey=YNGAYZJNJBBQNV-UHFFFAOYSA-N
SMILES:C(CCCCCCC#N)(=O)C1=CC(I)=CC=C1
Synonyms:- 3-Iodo-η-oxobenzeneoctanenitrile
- Benzeneoctanenitrile, 3-iodo-η-oxo-
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