CAS 898768-03-1
:2-Iodo-ε-oxobenzenehexanenitrile
Description:
2-Iodo-ε-oxobenzenehexanenitrile, identified by its CAS number 898768-03-1, is a chemical compound that features a complex structure incorporating both an iodo substituent and a nitrile functional group. This compound is characterized by its aromatic ring, which is substituted with an iodine atom at the second position, and a hexanenitrile chain that extends from the aromatic system. The presence of the nitrile group (-C≡N) indicates that it has potential applications in organic synthesis and as an intermediate in the production of pharmaceuticals or agrochemicals. The iodo substituent can enhance the reactivity of the compound, making it useful in various coupling reactions or as a precursor for further functionalization. Additionally, the compound's physical properties, such as solubility and melting point, would depend on its molecular interactions and the presence of the functional groups. Overall, 2-Iodo-ε-oxobenzenehexanenitrile is a versatile compound with potential utility in synthetic organic chemistry.
Formula:C12H12INO
InChI:InChI=1S/C12H12INO/c13-11-7-4-3-6-10(11)12(15)8-2-1-5-9-14/h3-4,6-7H,1-2,5,8H2
InChI key:InChIKey=NEYGRIUSOSAKRI-UHFFFAOYSA-N
SMILES:C(CCCCC#N)(=O)C1=C(I)C=CC=C1
Synonyms:- Benzenehexanenitrile, 2-iodo-ε-oxo-
- 2-Iodo-ε-oxobenzenehexanenitrile
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