CAS 453566-01-3
:Methyl 3-bromo-5-(methylthio)benzoate
Description:
Methyl 3-bromo-5-(methylthio)benzoate is an organic compound characterized by its aromatic structure, which includes a bromine atom and a methylthio group attached to a benzoate moiety. The presence of the bromine atom introduces electrophilic properties, making it a useful intermediate in various chemical reactions, including nucleophilic substitutions. The methylthio group enhances the compound's reactivity and solubility in organic solvents. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in organic solvents such as ethanol and dichloromethane but has limited solubility in water due to its hydrophobic aromatic structure. Methyl 3-bromo-5-(methylthio)benzoate can be utilized in synthetic organic chemistry for the development of pharmaceuticals, agrochemicals, and other fine chemicals. As with many brominated compounds, it is essential to handle it with care due to potential toxicity and environmental concerns. Proper safety protocols should be followed when working with this substance in a laboratory setting.
Formula:C9H9BrO2S
InChI:InChI=1S/C9H9BrO2S/c1-12-9(11)6-3-7(10)5-8(4-6)13-2/h3-5H,1-2H3
InChI key:InChIKey=IGRREENPYUIZEV-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=CC(SC)=CC(Br)=C1
Synonyms:- 3-Bromo-5-(methylthio)benzoic acid methyl ester
- Benzoic acid, 3-bromo-5-(methylthio)-, methyl ester
- Methyl 3-bromo-5-(methylthio)benzoate
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