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CAS 71236-96-9

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4-Methylthio-3-nitrobenzotrifluoride

Description:
4-Methylthio-3-nitrobenzotrifluoride, with the CAS number 71236-96-9, is an organic compound characterized by its complex structure, which includes a benzene ring substituted with a methylthio group, a nitro group, and three trifluoromethyl groups. This compound typically appears as a colorless to pale yellow liquid or solid, depending on its purity and temperature. It is known for its relatively high stability under standard conditions, although it may be reactive under certain circumstances, particularly in the presence of strong nucleophiles or under extreme conditions. The presence of the trifluoromethyl groups contributes to its lipophilicity and potential applications in various fields, including agrochemicals and pharmaceuticals. Additionally, the nitro group can impart specific reactivity, making it useful in synthetic organic chemistry. Safety precautions should be observed when handling this compound, as it may pose health risks if inhaled or ingested, and appropriate personal protective equipment should be used.
Formula:C8H6F3NO2S
InChI:InChI=1/C8H6F3NO2S/c1-15-7-3-2-5(8(9,10)11)4-6(7)12(13)14/h2-4H,1H3
SMILES:CSc1ccc(cc1N(=O)=O)C(F)(F)F
Synonyms:
  • 1-(Methylsulfanyl)-2-Nitro-4-(Trifluoromethyl)Benzene
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