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CAS 400-99-7

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2-Nitro-4-(trifluoromethyl)phenol

Description:
2-Nitro-4-(trifluoromethyl)phenol, with the CAS number 400-99-7, is an organic compound characterized by the presence of a nitro group and a trifluoromethyl group attached to a phenolic structure. This compound typically appears as a solid at room temperature and is known for its distinctive yellow color. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic trifluoromethyl group. The presence of the nitro group contributes to its acidic properties, making it a weak acid. This compound is often used in various chemical syntheses and as an intermediate in the production of agrochemicals and pharmaceuticals. Additionally, its trifluoromethyl group enhances its biological activity and lipophilicity, making it of interest in medicinal chemistry. However, handling this compound requires caution due to its potential toxicity and environmental impact. Proper safety measures should be observed when working with it in laboratory settings.
Formula:C7H4F3NO3
InChI:InChI=1S/C7H4F3NO3/c8-7(9,10)4-1-2-6(12)5(3-4)11(13)14/h1-3,12H
InChI key:InChIKey=XZEDEVRSUANQEM-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=CC(C(F)(F)F)=CC=C1O
Synonyms:
  • 2-Nitro-4-(trifluoromethyl)
  • 2-Nitro-4-(trifluoromethyl)phenol
  • 2-Nitro-4-Trifluoromethylphenol
  • 4-(Trifluoromethyl)-2-nitrophenol
  • Alpha,Alpha,Alpha-Trifluoro-2-Nitro-P-Cresol
  • Phenol, 2-nitro-4-(trifluoromethyl)-
  • o-Nitro-p-(trifluoromethyl)phenol
  • p-Cresol, α,α,α-trifluoro-2-nitro-
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