CAS 1314893-02-1
:3-(3-Butyn-1-yl)benzonitrile
Description:
3-(3-Butyn-1-yl)benzonitrile is an organic compound characterized by its structure, which features a benzonitrile moiety substituted with a 3-butyn-1-yl group. This compound belongs to the class of nitriles, which are characterized by the presence of a cyano group (-C≡N). The presence of the alkyne functional group (3-butyn-1-yl) contributes to its reactivity and potential applications in organic synthesis. The compound is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is expected to be relatively insoluble in water due to its hydrophobic aromatic and aliphatic components, but may dissolve in organic solvents. The compound may exhibit interesting chemical properties, including the ability to participate in various reactions such as nucleophilic additions or coupling reactions, making it valuable in the synthesis of more complex organic molecules. Safety data should be consulted for handling and storage, as nitriles can be toxic and may pose health risks.
Formula:C11H9N
InChI:InChI=1S/C11H9N/c1-2-3-5-10-6-4-7-11(8-10)9-12/h1,4,6-8H,3,5H2
InChI key:InChIKey=SZGFAXLRSDWOCT-UHFFFAOYSA-N
SMILES:C(CC#C)C1=CC(C#N)=CC=C1
Synonyms:- 3-(3-Butyn-1-yl)benzonitrile
- Benzonitrile, 3-(3-butyn-1-yl)-
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