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CAS 6969-95-5

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4-Nitro-1-phenoxy-2-(trifluoromethyl)benzene

Description:
4-Nitro-1-phenoxy-2-(trifluoromethyl)benzene, with the CAS number 6969-95-5, is an organic compound characterized by its complex aromatic structure. It features a nitro group (-NO2) and a trifluoromethyl group (-CF3) attached to a phenoxy group, which contributes to its chemical reactivity and physical properties. This compound is typically a solid at room temperature and may exhibit a yellowish color. Its molecular structure suggests potential applications in various fields, including pharmaceuticals and agrochemicals, due to the presence of both electron-withdrawing and electron-donating groups that can influence its reactivity and interaction with biological systems. The trifluoromethyl group is known to enhance lipophilicity, potentially affecting the compound's solubility and bioavailability. Additionally, the nitro group can participate in electrophilic aromatic substitution reactions, making this compound a versatile intermediate in organic synthesis. Safety data should be consulted for handling, as compounds with nitro and trifluoromethyl groups can pose health and environmental risks.
Formula:C13H8F3NO3
InChI:InChI=1S/C13H8F3NO3/c14-13(15,16)11-8-9(17(18)19)6-7-12(11)20-10-4-2-1-3-5-10/h1-8H
InChI key:InChIKey=VISZAKUAHVQLIE-UHFFFAOYSA-N
SMILES:C(F)(F)(F)C1=C(OC2=CC=CC=C2)C=CC(N(=O)=O)=C1
Synonyms:
  • 4-Nitro-1-phenoxy-2-(trifluoromethyl)benzene
  • NSC 68884
  • Ether, phenyl α,α,α-trifluoro-4-nitro-o-tolyl
  • Benzene, 4-nitro-1-phenoxy-2-(trifluoromethyl)-
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