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CAS 1000018-54-1

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3-[2-(Methylsulfonyl)phenoxy]benzoic acid

Description:
3-[2-(Methylsulfonyl)phenoxy]benzoic acid, identified by its CAS number 1000018-54-1, is an organic compound characterized by its complex structure, which includes a benzoic acid moiety and a methylsulfonyl group attached to a phenoxy group. This compound typically exhibits properties such as being a solid at room temperature, with potential solubility in organic solvents due to its aromatic nature. The presence of the methylsulfonyl group may impart polar characteristics, influencing its solubility in polar solvents as well. It is likely to exhibit moderate to high melting and boiling points, typical of aromatic compounds. The compound may also demonstrate acidic behavior due to the carboxylic acid functional group, allowing it to participate in various chemical reactions, including esterification and salt formation. Additionally, its structural features suggest potential applications in pharmaceuticals or agrochemicals, where it may act as an intermediate or active ingredient. However, specific reactivity and stability would depend on the surrounding conditions and the presence of other functional groups.
Formula:C14H12O5S
InChI:InChI=1S/C14H12O5S/c1-20(17,18)13-8-3-2-7-12(13)19-11-6-4-5-10(9-11)14(15)16/h2-9H,1H3,(H,15,16)
InChI key:InChIKey=HVUNZPMPAVSYCQ-UHFFFAOYSA-N
SMILES:O(C1=C(S(C)(=O)=O)C=CC=C1)C2=CC(C(O)=O)=CC=C2
Synonyms:
  • 3-[2-(Methylsulfonyl)phenoxy]benzoic acid
  • Benzoic acid, 3-[2-(methylsulfonyl)phenoxy]-
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