CAS 898759-05-2
:Ethyl 2-chloro-ε-oxobenzenehexanoate
Description:
Ethyl 2-chloro-ε-oxobenzenehexanoate, identified by its CAS number 898759-05-2, is an organic compound characterized by its ester functional group, which is derived from the reaction of an alcohol (ethyl alcohol) and a carboxylic acid. This compound features a chloro substituent, indicating the presence of chlorine atoms, which can influence its reactivity and solubility. The structure includes a benzene ring, contributing to its aromatic properties, and a hexanoate chain, which provides a degree of hydrophobicity. Ethyl 2-chloro-ε-oxobenzenehexanoate may exhibit moderate to high lipophilicity, making it potentially useful in various applications, including pharmaceuticals and agrochemicals. Its reactivity can be attributed to the electrophilic nature of the chloro group, which may participate in nucleophilic substitution reactions. Additionally, the compound's stability and behavior in different environments can be influenced by factors such as temperature, pH, and the presence of other reactive species. Safety data and handling precautions should be considered due to the presence of chlorine and potential toxicity associated with similar compounds.
Formula:C14H17ClO3
InChI:InChI=1S/C14H17ClO3/c1-2-18-14(17)10-6-5-9-13(16)11-7-3-4-8-12(11)15/h3-4,7-8H,2,5-6,9-10H2,1H3
InChI key:InChIKey=VNMRMJOJURNKID-UHFFFAOYSA-N
SMILES:C(CCCCC(OCC)=O)(=O)C1=C(Cl)C=CC=C1
Synonyms:- Ethyl 2-chloro-ε-oxobenzenehexanoate
- Benzenehexanoic acid, 2-chloro-ε-oxo-, ethyl ester
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