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CAS 307989-42-0

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Methyl 5-nitro-2-(trifluoromethoxy)benzoate

Description:
Methyl 5-nitro-2-(trifluoromethoxy)benzoate is an organic compound characterized by its aromatic structure, which includes a nitro group and a trifluoromethoxy substituent. The presence of the nitro group (-NO2) typically imparts significant polarity and can influence the compound's reactivity, making it a potential candidate for various chemical reactions, including electrophilic substitutions. The trifluoromethoxy group (-OCF3) enhances the compound's lipophilicity and can affect its solubility in organic solvents. This compound is likely to be a pale yellow to light brown solid or liquid, depending on its purity and specific conditions. Its molecular structure suggests potential applications in pharmaceuticals, agrochemicals, or as an intermediate in organic synthesis. Additionally, the trifluoromethoxy group can confer unique electronic properties, making it of interest in materials science and medicinal chemistry. Safety data should be consulted for handling and storage, as compounds with nitro and trifluoromethyl functionalities can exhibit specific hazards.
Formula:C9H6F3NO5
InChI:InChI=1S/C9H6F3NO5/c1-17-8(14)6-4-5(13(15)16)2-3-7(6)18-9(10,11)12/h2-4H,1H3
InChI key:InChIKey=DHUVHNWENISJQN-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(OC(F)(F)F)C=CC(N(=O)=O)=C1
Synonyms:
  • 5-Nitro-2-trifluoromethoxybenzoic acid methyl ester
  • Benzoic acid, 5-nitro-2-(trifluoromethoxy)-, methyl ester
  • Methyl 5-nitro-2-(trifluoromethoxy)benzoate
  • 5-NITRO-2-(TRIFLUOROMETHOXY)BENZOIC ACID METHYL ESTER
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