CAS 1171919-47-3

2,4,6-Trichlorophenyl 5-bromo-2-methoxybenzenesulfonate

Description:

2,4,6-Trichlorophenyl 5-bromo-2-methoxybenzenesulfonate is a chemical compound characterized by its complex structure, which includes a trichlorophenyl group, a bromo substituent, and a methoxybenzenesulfonate moiety. This compound is typically used in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals or agrochemicals. Its molecular structure suggests it possesses significant reactivity due to the presence of multiple halogen atoms, which can influence its electrophilic properties. The methoxy group can enhance solubility in organic solvents, while the sulfonate group may impart some degree of polarity, affecting its interactions in biological systems. The compound's stability and reactivity can be influenced by environmental factors such as pH and temperature. Safety considerations are important when handling this substance, as it may exhibit toxicity or environmental hazards typical of halogenated organic compounds. Proper storage and disposal methods should be followed to mitigate any potential risks associated with its use.

Formula: C₁₃H₈BrCl₃O₄S

InChI: InChI=1S/C13H8BrCl3O4S/c1-20-11-3-2-7(14)4-12(11)22(18,19)21-13-9(16)5-8(15)6-10(13)17/h2-6H,1H3

InChI key: InChIKey=CORSCAJPNHYPIU-UHFFFAOYSA-N

SMILES: S(OC1=C(Cl)C=C(Cl)C=C1Cl)(=O)(=O)C2=C(OC)C=CC(Br)=C2

Synonyms:

• Benzenesulfonic acid, 5-bromo-2-methoxy-, 2,4,6-trichlorophenyl ester
• 2,4,6-Trichlorophenyl 5-bromo-2-methoxybenzenesulfonate