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CAS 79247-82-8

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Methyl 2-bromo-4-(trifluoromethyl)-5-thiazolecarboxylate

Description:
Methyl 2-bromo-4-(trifluoromethyl)-5-thiazolecarboxylate is a chemical compound characterized by its thiazole ring, which is a five-membered heterocyclic structure containing sulfur and nitrogen. The presence of a bromine atom and a trifluoromethyl group contributes to its unique reactivity and physical properties. This compound is typically a colorless to pale yellow liquid or solid, depending on its purity and form. It is known for its applications in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to the presence of the thiazole moiety, which is often associated with biological activity. The trifluoromethyl group enhances lipophilicity and metabolic stability, making it a valuable functional group in medicinal chemistry. Additionally, the compound may exhibit moderate to high toxicity, necessitating careful handling and appropriate safety measures during its use in laboratory settings. As with many halogenated compounds, it may also pose environmental concerns, particularly regarding persistence and bioaccumulation.
Formula:C6H3BrF3NO2S
InChI:InChI=1S/C6H3BrF3NO2S/c1-13-4(12)2-3(6(8,9)10)11-5(7)14-2/h1H3
InChI key:InChIKey=CJKJQYOCLDGPOB-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(C(OC)=O)SC(Br)=N1
Synonyms:
  • Methyl 2-bromo-4-(trifluoromethyl)-5-thiazolecarboxylate
  • 5-Thiazolecarboxylic acid, 2-bromo-4-(trifluoromethyl)-, methyl ester
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