CAS 731772-78-4

Ethyl 2-(2-chloro-2-propen-1-yl)benzoate

Description:

Ethyl 2-(2-chloro-2-propen-1-yl)benzoate, with the CAS number 731772-78-4, is an organic compound that belongs to the class of benzoates. It features an ethyl ester functional group and a chloroalkene moiety, which contributes to its reactivity and potential applications in organic synthesis. The compound is characterized by its aromatic benzene ring, which is substituted with both an ethyl ester and a vinyl chloride group, making it a versatile intermediate in chemical reactions. Its structure suggests that it may exhibit properties such as moderate volatility and solubility in organic solvents, typical of many benzoate esters. The presence of the chloro group can enhance its electrophilic character, making it useful in various synthetic pathways, including nucleophilic substitutions. Safety data indicates that, like many chlorinated compounds, it should be handled with care due to potential toxicity and environmental concerns. Overall, Ethyl 2-(2-chloro-2-propen-1-yl)benzoate is a compound of interest in both industrial and research settings.

Formula: C₁₂H₁₃ClO₂

InChI: InChI=1S/C12H13ClO2/c1-3-15-12(14)11-7-5-4-6-10(11)8-9(2)13/h4-7H,2-3,8H2,1H3

InChI key: InChIKey=FFWHAZMHOOMSJT-UHFFFAOYSA-N

SMILES: C(C(=C)Cl)C1=C(C(OCC)=O)C=CC=C1

Synonyms:

• Benzoic acid, 2-(2-chloro-2-propen-1-yl)-, ethyl ester
• Benzoic acid, 2-(2-chloro-2-propenyl)-, ethyl ester
• Ethyl 2-(2-chloro-2-propen-1-yl)benzoate