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CAS 1258546-68-7

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Benzoic acid, 2-nitro-3-(2,2,2-trifluoroethoxy)-, methyl ester

Description:
Benzoic acid, 2-nitro-3-(2,2,2-trifluoroethoxy)-, methyl ester, identified by the CAS number 1258546-68-7, is an organic compound characterized by its functional groups and structural features. It contains a benzoic acid moiety with a nitro group and a trifluoroethoxy substituent, along with a methyl ester group. This compound is likely to exhibit properties typical of esters, such as volatility and solubility in organic solvents, while the presence of the nitro group may impart additional reactivity and polarity. The trifluoroethoxy group contributes to its unique characteristics, potentially enhancing its lipophilicity and influencing its biological activity. The compound may be of interest in various fields, including pharmaceuticals and agrochemicals, due to its potential applications in synthesis and as a building block for more complex molecules. Safety and handling precautions should be observed, as compounds with nitro groups can be sensitive and may pose environmental or health risks.
Formula:C10H8F3NO5
InChI:InChI=1S/C10H8F3NO5/c1-18-9(15)6-3-2-4-7(8(6)14(16)17)19-5-10(11,12)13/h2-4H,5H2,1H3
InChI key:InChIKey=HMTDVGAWAMRDBY-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(C(OC)=O)C=CC=C1OCC(F)(F)F
Synonyms:
  • Benzoic acid, 2-nitro-3-(2,2,2-trifluoroethoxy)-, methyl ester
  • Methyl 2-nitro-3-(2,2,2-trifluoroethoxy)benzoate
  • 3,5-Difluoro-2-nitrobenzyl bromide
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