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CAS 702673-02-7

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Ethyl 2-nitro-4-(trifluoromethyl)benzoate

Description:
Ethyl 2-nitro-4-(trifluoromethyl)benzoate is an organic compound characterized by its ester functional group, which is derived from benzoic acid. It features a nitro group (-NO2) and a trifluoromethyl group (-CF3) attached to the aromatic ring, contributing to its unique chemical properties. The presence of the trifluoromethyl group enhances the compound's lipophilicity and can influence its reactivity and biological activity. Ethyl 2-nitro-4-(trifluoromethyl)benzoate is typically a pale yellow to light brown liquid or solid, depending on its purity and temperature. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic characteristics. This compound is often used in synthetic organic chemistry as an intermediate in the production of pharmaceuticals, agrochemicals, and other fine chemicals. Its reactivity can be attributed to the electron-withdrawing effects of the nitro and trifluoromethyl groups, making it a valuable building block in various chemical reactions. Safety precautions should be taken when handling this compound due to its potential toxicity and environmental impact.
Formula:C10H8F3NO4
InChI:InChI=1S/C10H8F3NO4/c1-2-18-9(15)7-4-3-6(10(11,12)13)5-8(7)14(16)17/h3-5H,2H2,1H3
InChI key:InChIKey=UDXSWRMABOCZPY-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=C(N(=O)=O)C=C(C(F)(F)F)C=C1
Synonyms:
  • Ethyl 2-nitro-4-(trifluoromethyl)benzoate
  • Benzoic acid, 2-nitro-4-(trifluoromethyl)-, ethyl ester
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