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CAS 102561-42-2

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3-Fluoro-4-methylphenyl isocyanate

Description:
3-Fluoro-4-methylphenyl isocyanate is an organic compound characterized by the presence of an isocyanate functional group (-N=C=O) attached to a phenyl ring that is substituted with both a fluorine atom and a methyl group. This compound typically appears as a colorless to pale yellow liquid and is known for its reactivity, particularly in forming ureas and carbamates through nucleophilic addition reactions with amines and alcohols. The presence of the fluorine atom can influence the compound's reactivity and polarity, potentially enhancing its electrophilic character. It is important to handle this substance with care, as isocyanates are known to be toxic and can cause respiratory irritation and sensitization. Additionally, 3-Fluoro-4-methylphenyl isocyanate may be used in the synthesis of various pharmaceuticals and agrochemicals, making it relevant in both industrial and research applications. Proper safety measures, including the use of personal protective equipment and adequate ventilation, are essential when working with this compound.
Formula:C8H6FNO
InChI:InChI=1S/C8H6FNO/c1-6-2-3-7(10-5-11)4-8(6)9/h2-4H,1H3
InChI key:InChIKey=FWRCOINKYLERQL-UHFFFAOYSA-N
SMILES:N(=C=O)C1=CC(F)=C(C)C=C1
Synonyms:
  • 1-Fluoro-4-Isocyanato-2-Methylbenzene
  • 1-Fluoro-5-isocyanato-2-methylbenzene
  • 2-Fluoro-4-Isocyanato-1-Methylbenzene
  • 2-Fluoro-4-Isothiocyanato-1-Methylbenzene
  • Benzene, 2-fluoro-4-isocyanato-1-methyl-
  • 3-Fluoro-4-methylphenyl isocyanate
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