CAS 731772-85-3

ethyl 3-(3-chlorobut-3-enyl)benzoate

Description:

Ethyl 3-(3-chlorobut-3-enyl)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid and ethanol. The structure features a benzoate moiety linked to a 3-(3-chlorobut-3-enyl) substituent, indicating the presence of a chlorinated alkene side chain. This compound typically exhibits a moderate to high boiling point due to its molecular weight and the presence of polar functional groups. It is likely to be a colorless to pale yellow liquid with a characteristic odor. Ethyl 3-(3-chlorobut-3-enyl)benzoate may demonstrate moderate solubility in organic solvents and limited solubility in water, reflecting its hydrophobic nature. The presence of the chlorine atom can impart unique reactivity, making it of interest in synthetic organic chemistry and potential applications in pharmaceuticals or agrochemicals. Safety data should be consulted for handling and storage, as halogenated compounds can pose health and environmental risks.

Formula: C₁₃H₁₅ClO₂

InChI: InChI=1/C13H15ClO2/c1-3-16-13(15)12-6-4-5-11(9-12)8-7-10(2)14/h4-6,9H,2-3,7-8H2,1H3

SMILES: CCOC(=O)c1cccc(CCC(=C)Cl)c1

Synonyms:

• Ethyl 3-(3-chlorobut-3-en-1-yl)benzoate
• 4-(3-CARBOETHOXYPHENYL)-2-CHLORO-1-BUTENE
• Benzoic acid, 3-(3-chloro-3-buten-1-yl)-, ethyl ester