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CAS 15481-45-5

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Benzenesulfonic acid, 4-chloro-, methyl ester

Description:
Benzenesulfonic acid, 4-chloro-, methyl ester, also known as methyl 4-chlorobenzenesulfonate, is an organic compound characterized by the presence of a sulfonate group attached to a benzene ring that also features a chlorine substituent at the para position. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and form. It is soluble in organic solvents such as ethanol and acetone but has limited solubility in water due to its hydrophobic aromatic structure. The presence of the sulfonate group imparts polar characteristics, making it a useful intermediate in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. Additionally, the chlorine atom enhances its reactivity, allowing for various substitution reactions. Safety considerations include handling it with care, as it may be irritating to the skin and eyes, and proper protective equipment should be used. Overall, its unique structure and reactivity make it a valuable compound in synthetic organic chemistry.
Formula:C7H7ClO3S
InChI:InChI=1S/C7H7ClO3S/c1-11-12(9,10)7-4-2-6(8)3-5-7/h2-5H,1H3
InChI key:InChIKey=VQFKYAZZFFNYQV-UHFFFAOYSA-N
SMILES:S(OC)(=O)(=O)C1=CC=C(Cl)C=C1
Synonyms:
  • Benzenesulfonic acid, 4-chloro-, methyl ester
  • Methyl 4-chlorobenzenesulfonate
  • Benzenesulfonic acid, p-chloro-, methyl ester
  • Methyl p-chlorobenzenesulfonate
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