CAS 120530-42-9

Benzoic acid, 3,4,5-trichloro-, ethyl ester

Description:

Benzoic acid, 3,4,5-trichloro-, ethyl ester, with the CAS number 120530-42-9, is an organic compound characterized by its ester functional group derived from benzoic acid and ethyl alcohol. This compound features a benzoic acid backbone substituted with three chlorine atoms at the 3, 4, and 5 positions on the aromatic ring, which significantly influences its chemical properties and reactivity. The presence of chlorine atoms enhances its lipophilicity and may impart biological activity, making it of interest in various applications, including as a potential pesticide or herbicide. In terms of physical properties, it is typically a colorless to pale yellow liquid or solid, depending on temperature and purity. Its solubility in organic solvents is generally high, while its solubility in water is limited due to the hydrophobic nature of the aromatic ring. Safety data should be consulted for handling and exposure guidelines, as halogenated compounds can pose environmental and health risks. Overall, this compound exemplifies the intersection of organic chemistry and environmental science.

Formula: C₉H₇Cl₃O₂

InChI: InChI=1S/C9H7Cl3O2/c1-2-14-9(13)5-3-6(10)8(12)7(11)4-5/h3-4H,2H2,1H3

InChI key: InChIKey=ADSPWCLKYZTTFP-UHFFFAOYSA-N

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

Synonyms:

• Ethyl 3,4,5-trichlorobenzoate
• Benzoic acid, 3,4,5-trichloro-, ethyl ester

Benzoic acid, 3,4,5-trichloro-, ethyl ester

CAS: 120530-42-9

Formula: C₉H₇Cl₃O₂

Purity: 95%

Color and Shape: Solid

Molecular weight: 253.5097

Ref: IN-DA016J99

Ethyl 3,4,5-trichlorobenzoate

CAS: 120530-42-9

Purity: ≥95%

Molecular weight: 253.5

Ref: 10-F631100