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CAS 773134-43-3

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Benzoic acid, 4-bromo-2-(methylsulfonyl)-, methyl ester

Description:
Benzoic acid, 4-bromo-2-(methylsulfonyl)-, methyl ester, identified by its CAS number 773134-43-3, is an organic compound characterized by its benzoic acid structure modified with a bromine atom and a methylsulfonyl group. This compound typically appears as a white to off-white solid and is soluble in organic solvents such as methanol and dichloromethane, but has limited solubility in water. The presence of the bromine atom introduces electrophilic characteristics, making it a potential candidate for further chemical reactions, such as nucleophilic substitutions. The methylsulfonyl group enhances the compound's polarity and can influence its reactivity and biological activity. Benzoic acid derivatives are often studied for their applications in pharmaceuticals, agrochemicals, and as intermediates in organic synthesis. Safety data should be consulted for handling, as with many organic compounds, it may pose health risks if ingested or inhaled. Overall, this compound's unique functional groups contribute to its potential utility in various chemical applications.
Formula:C9H9BrO4S
InChI:InChI=1S/C9H9BrO4S/c1-14-9(11)7-4-3-6(10)5-8(7)15(2,12)13/h3-5H,1-2H3
InChI key:InChIKey=OMTWUICAKUOXOV-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(S(C)(=O)=O)C=C(Br)C=C1
Synonyms:
  • Benzoic acid, 4-bromo-2-(methylsulfonyl)-, methyl ester
  • Methyl 4-bromo-2-(methylsulfonyl)benzoate
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