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CAS 228418-45-9

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Methyl 2-nitro-4-(trifluoromethyl)benzoate

Description:
Methyl 2-nitro-4-(trifluoromethyl)benzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety with a nitro group and a trifluoromethyl group as substituents. 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 colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in organic solvents and may exhibit low solubility in water. Methyl 2-nitro-4-(trifluoromethyl)benzoate is of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential applications in synthesis and as an intermediate in chemical reactions. Safety precautions should be observed when handling this compound, as it may pose health risks if inhaled or ingested.
Formula:C9H6F3NO4
InChI:InChI=1/C9H6F3NO4/c1-17-8(14)6-3-2-5(9(10,11)12)4-7(6)13(15)16/h2-4H,1H3
InChI key:WYTRZKAYPKZGCN-UHFFFAOYSA-N
SMILES:COC(=O)c1ccc(cc1N(=O)=O)C(F)(F)F
Synonyms:
  • Benzoic acid, 2-nitro-4-(trifluoromethyl)-, methyl ester
  • Methyl 2-nitro-4-trifluoromethylbenzoate
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