CAS 898764-20-0
:3-(3,3-dimethylbutanoyl)benzonitrile
Description:
3-(3,3-Dimethylbutanoyl)benzonitrile, identified by its CAS number 898764-20-0, is an organic compound characterized by its structural features, which include a benzonitrile moiety and a 3,3-dimethylbutanoyl group. This compound typically exhibits a solid state at room temperature and is likely to be insoluble or only sparingly soluble in water, given the hydrophobic nature of its aromatic and aliphatic components. It may possess moderate volatility and can be sensitive to heat and light, which could affect its stability. The presence of the nitrile functional group suggests potential reactivity, particularly in nucleophilic addition reactions. Additionally, the compound may exhibit specific physical properties such as melting and boiling points, which are influenced by its molecular structure and intermolecular interactions. As with many organic compounds, safety precautions should be taken when handling it, as it may pose health risks if inhaled, ingested, or in contact with skin. Proper storage conditions are essential to maintain its integrity and prevent degradation.
Formula:C13H15NO
InChI:InChI=1/C13H15NO/c1-13(2,3)8-12(15)11-6-4-5-10(7-11)9-14/h4-7H,8H2,1-3H3
SMILES:CC(C)(C)CC(=O)c1cccc(c1)C#N
Synonyms:- 3-(3,3-Dimethyl-1-oxobutyl)benzonitrile
- Benzonitrile, 3-(3,3-dimethyl-1-oxobutyl)-
- 3'-CYANO-3,3-DIMETHYLBUTYROPHENONE
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