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CAS 455-94-7

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1-(Fluoromethyl)-3-nitrobenzene

Description:
1-(Fluoromethyl)-3-nitrobenzene, with the CAS number 455-94-7, is an organic compound characterized by the presence of a nitro group (-NO2) and a fluoromethyl group (-CH2F) attached to a benzene ring. This compound typically appears as a pale yellow to light brown liquid or solid, depending on its physical state at room temperature. It is known for its aromatic properties, which contribute to its stability and reactivity. The presence of both the nitro and fluoromethyl groups introduces significant polarity, influencing its solubility in various solvents and its reactivity in chemical reactions. This compound is often utilized in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Safety considerations are important when handling this substance, as it may pose health risks through inhalation or skin contact. Proper storage and handling protocols should be followed to mitigate any potential hazards associated with its use.
Formula:C7H6FNO2
InChI:InChI=1S/C7H6FNO2/c8-5-6-2-1-3-7(4-6)9(10)11/h1-4H,5H2
InChI key:InChIKey=LMBGIKKCVSXJER-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=CC(CF)=CC=C1
Synonyms:
  • α-Fluoro-3-nitrotoluene
  • 3-Nitrobenzyl fluoride
  • 1-(Fluoromethyl)-3-nitrobenzene
  • Benzene, 1-(fluoromethyl)-3-nitro-
  • Toluene, α-fluoro-m-nitro-
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