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CAS 87617-21-8

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5-Methyl-2-nitrobenzotrifluoride

Description:
5-Methyl-2-nitrobenzotrifluoride, with the CAS number 87617-21-8, is an aromatic compound characterized by the presence of a methyl group, a nitro group, and three fluorine atoms attached to a benzene ring. This compound features a trifluoromethyl group, which significantly influences its chemical properties, including increased lipophilicity and potential reactivity. The nitro group introduces electron-withdrawing characteristics, affecting the compound's reactivity in electrophilic aromatic substitution reactions. The presence of the methyl group can also influence steric hindrance and electronic effects. Typically, such compounds are used in various applications, including as intermediates in organic synthesis and in the production of agrochemicals or pharmaceuticals. The physical properties, such as boiling point, melting point, and solubility, can vary based on the specific molecular structure and substituents. Safety data should be consulted, as nitro and trifluoromethyl groups can impart toxicity and environmental concerns. Overall, 5-Methyl-2-nitrobenzotrifluoride is a compound of interest in both industrial and research settings due to its unique structural features.
Formula:C8H6F3NO2
InChI:InChI=1/C8H6F3NO2/c1-5-2-3-7(12(13)14)6(4-5)8(9,10)11/h2-4H,1H3
SMILES:Cc1ccc(c(c1)C(F)(F)F)N(=O)=O
Synonyms:
  • 4-Methyl-1-Nitro-2-(Trifluoromethyl)Benzene
  • 4-Methyl-2-Trifluoromethyl-Nitrobenzene
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