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CAS 5455-14-1

:

phenyl 4-bromobenzenesulfonate

Description:
Phenyl 4-bromobenzenesulfonate, with the CAS number 5455-14-1, is an organic compound characterized by the presence of a phenyl group attached to a sulfonate moiety, specifically a 4-bromobenzenesulfonate. This compound typically appears as a white to light yellow solid and is soluble in organic solvents such as acetone and dichloromethane, but has limited solubility in water. It is known for its role as a sulfonate ester, which can participate in nucleophilic substitution reactions, making it useful in organic synthesis, particularly in the formation of aryl ethers and other derivatives. The presence of the bromine atom enhances its reactivity, allowing for further functionalization. Additionally, phenyl 4-bromobenzenesulfonate may exhibit moderate toxicity, necessitating appropriate safety precautions during handling. Its applications extend to various fields, including pharmaceuticals and materials science, where it serves as an intermediate in the synthesis of more complex molecules.
Formula:C12H9BrO3S
InChI:InChI=1/C12H9BrO3S/c13-10-6-8-12(9-7-10)17(14,15)16-11-4-2-1-3-5-11/h1-9H
SMILES:c1ccc(cc1)OS(=O)(=O)c1ccc(cc1)Br
Synonyms:
  • Benzenesulfonic acid, 4-bromo-, phenyl ester
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