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CAS 22227-63-0

:

methyl 3-nitro-5-(trifluoromethyl)benzoate

Description:
Methyl 3-nitro-5-(trifluoromethyl)benzoate, with the CAS number 22227-63-0, is an organic compound characterized by its aromatic structure, which includes a benzoate moiety substituted with both a nitro group and a trifluoromethyl group. The presence of the nitro group (-NO2) introduces significant polarity and can enhance the compound's reactivity, particularly in electrophilic aromatic substitution reactions. The trifluoromethyl group (-CF3) is known for its electron-withdrawing properties, which can influence the compound's overall electronic characteristics and stability. This compound is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. Its unique combination of functional groups makes it of interest in various fields, including pharmaceuticals and agrochemicals, where it may serve as an intermediate in the synthesis of more complex molecules. Safety data should be consulted for handling, as compounds with nitro and trifluoromethyl groups can pose specific health and environmental risks.
Formula:C9H6F3NO4
InChI:InChI=1/C9H6F3NO4/c1-17-8(14)5-2-6(9(10,11)12)4-7(3-5)13(15)16/h2-4H,1H3
SMILES:COC(=O)c1cc(cc(c1)N(=O)=O)C(F)(F)F
Synonyms:
  • Benzoic Acid, 3-Nitro-5-(Trifluoromethyl)-, Methyl Ester
  • Methyl 3-nitro-5-(trifluoromethyl)benzoate
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