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CAS 126541-81-9

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Methyl 3-nitro-4-trifluoromethylbenzoate

Description:
Methyl 3-nitro-4-trifluoromethylbenzoate 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) typically imparts significant electron-withdrawing properties, influencing the compound's reactivity and polarity. The trifluoromethyl group (-CF3) is known for its strong electronegativity and can enhance the compound's lipophilicity, making it more soluble in organic solvents. This compound is likely to exhibit moderate to high stability under standard conditions, but it may undergo electrophilic aromatic substitution reactions due to the presence of the nitro group. Additionally, the trifluoromethyl group can affect the compound's physical properties, such as boiling and melting points, as well as its overall chemical behavior. Methyl 3-nitro-4-trifluoromethylbenzoate may find applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis, owing to its unique functional groups and structural characteristics.
Formula:C9H6F3NO4
InChI:InChI=1/C9H6F3NO4/c1-17-8(14)5-2-3-6(9(10,11)12)7(4-5)13(15)16/h2-4H,1H3
SMILES:COC(=O)c1ccc(c(c1)N(=O)=O)C(F)(F)F
Synonyms:
  • Benzoic Acid, 3-Nitro-4-(Trifluoromethyl)-, Methyl Ester
  • Methyl 3-nitro-4-(trifluoromethyl)benzoate
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