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CAS 398-99-2

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2-Methyl-5-(trifluoromethyl)benzothiazole

Description:
2-Methyl-5-(trifluoromethyl)benzothiazole is an organic compound characterized by its benzothiazole structure, which consists of a benzene ring fused to a thiazole ring. The presence of a methyl group at the 2-position and a trifluoromethyl group at the 5-position contributes to its unique chemical properties. This compound is typically a solid at room temperature and is known for its relatively low solubility in water, while being more soluble in organic solvents. It exhibits notable stability under standard conditions, but may undergo reactions typical of aromatic compounds, such as electrophilic substitution. The trifluoromethyl group enhances its lipophilicity and can influence its biological activity, making it of interest in various fields, including pharmaceuticals and agrochemicals. Additionally, the compound may exhibit fluorescence properties, which can be useful in analytical applications. Safety data indicates that it should be handled with care, as with many organic compounds, due to potential toxicity and environmental impact.
Formula:C9H6F3NS
InChI:InChI=1S/C9H6F3NS/c1-5-13-7-4-6(9(10,11)12)2-3-8(7)14-5/h2-4H,1H3
InChI key:InChIKey=XXIOZBPOLWETSU-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C=1C=C2C(=CC1)SC(C)=N2
Synonyms:
  • (2E)-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
  • 2-Methyl-5-(trifluoromethyl)-1,3-benzothiazole
  • 2-Methyl-5-(trifluoromethyl)benzo[d]thiazole
  • Benzothiazole, 2-methyl-5-(trifluoromethyl)-
  • 2-Methyl-5-(trifluoromethyl)benzothiazole
  • 2-Methyl-5-(trifluoromethyl)benzothiazole
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