CAS 13361-53-0
:Acetic acid, 2-cyano-, hexyl ester
Description:
Acetic acid, 2-cyano-, hexyl ester, also known by its CAS number 13361-53-0, is an organic compound characterized by its ester functional group. It is derived from acetic acid and contains a cyano group (–C≡N) attached to the second carbon of the acetic acid backbone, along with a hexyl group (–C6H13) as its alkyl chain. This compound typically appears as a colorless liquid with a distinctive odor. It is soluble in organic solvents and exhibits moderate polarity due to the presence of both the ester and cyano functionalities. The presence of the cyano group imparts unique reactivity, making it useful in various chemical syntheses and applications, including as an intermediate in organic synthesis. Additionally, its properties may include a relatively low boiling point and a tendency to participate in nucleophilic reactions. Safety data should be consulted, as it may pose health hazards if inhaled or ingested, and appropriate handling precautions should be observed.
Formula:C9H15NO2
InChI:InChI=1S/C9H15NO2/c1-2-3-4-5-8-12-9(11)6-7-10/h2-6,8H2,1H3
InChI key:InChIKey=PWKKBTPSCGLYBR-UHFFFAOYSA-N
SMILES:C(OCCCCCC)(CC#N)=O
Synonyms:- Cyanoacetic acid hexyl ester
- Hexyl cyanoacetate
- Acetic acid, 2-cyano-, hexyl ester
- Acetic acid, cyano-, hexyl ester
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