CAS 951887-56-2

Ethyl 3,4,5-trichloro-ε-oxobenzenehexanoate

Description:

Ethyl 3,4,5-trichloro-ε-oxobenzenehexanoate, with the CAS number 951887-56-2, is a synthetic organic compound characterized by its complex structure, which includes an ethyl ester functional group and a trichlorobenzene moiety. This compound typically exhibits a high degree of chlorination, which can influence its reactivity and stability. The presence of the oxo group suggests potential for reactivity in various chemical transformations, including nucleophilic attacks. Ethyl esters are generally known for their volatility and solubility in organic solvents, making them useful in various applications, including as intermediates in organic synthesis. The chlorinated aromatic ring may impart unique properties, such as increased hydrophobicity and potential biological activity. However, the environmental and health implications of chlorinated compounds necessitate careful handling and assessment. Overall, this compound's characteristics make it of interest in both industrial applications and research contexts, particularly in the fields of medicinal chemistry and materials science.

Formula: C₁₄H₁₅Cl₃O₃

InChI: InChI=1S/C14H15Cl3O3/c1-2-20-13(19)6-4-3-5-12(18)9-7-10(15)14(17)11(16)8-9/h7-8H,2-6H2,1H3

InChI key: InChIKey=HQIFZKFCCKIPPC-UHFFFAOYSA-N

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

Synonyms:

• Benzenehexanoic acid, 3,4,5-trichloro-ε-oxo-, ethyl ester
• Ethyl 3,4,5-trichloro-ε-oxobenzenehexanoate