CAS 1807998-44-2

Methyl 2,6-dichloro-4-(difluoromethyl)benzoate

Description:

Methyl 2,6-dichloro-4-(difluoromethyl)benzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety with two chlorine atoms and a difluoromethyl group attached to the aromatic ring. This compound typically exhibits a white to off-white crystalline appearance. It is soluble in organic solvents, reflecting its non-polar characteristics, while being less soluble in water due to the presence of halogen substituents that influence its polarity. The presence of chlorine and fluorine atoms contributes to its potential biological activity and makes it of interest in various chemical applications, including agrochemicals and pharmaceuticals. The compound's molecular structure suggests it may participate in electrophilic aromatic substitution reactions, and its halogen substituents can enhance its reactivity and stability under certain conditions. Safety data should be consulted for handling, as halogenated compounds can pose environmental and health risks. Overall, Methyl 2,6-dichloro-4-(difluoromethyl)benzoate is a notable compound in synthetic organic chemistry with potential applications in various fields.

Formula: C₉H₆Cl₂F₂O₂

InChI: InChI=1S/C9H6Cl2F2O2/c1-15-9(14)7-5(10)2-4(8(12)13)3-6(7)11/h2-3,8H,1H3

InChI key: InChIKey=QBNWDXNBUJEYOY-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(Cl)C=C(C(F)F)C=C1Cl

Synonyms:

• Benzoic acid, 2,6-dichloro-4-(difluoromethyl)-, methyl ester
• Methyl 2,6-dichloro-4-(difluoromethyl)benzoate