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CAS 351003-65-1

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1-Fluoro-4-isocyanato-2-methylbenzene

Description:
1-Fluoro-4-isocyanato-2-methylbenzene, with the CAS number 351003-65-1, is an organic compound characterized by the presence of both a fluorine atom and an isocyanate functional group attached to a methyl-substituted benzene ring. This compound features a fluorine atom at the para position relative to the isocyanate group, which can influence its reactivity and physical properties. The isocyanate group (-N=C=O) is known for its high reactivity, particularly in forming urethanes and other derivatives through reactions with alcohols and amines. The presence of the methyl group at the ortho position can affect steric hindrance and electronic properties, potentially influencing the compound's reactivity and interaction with other chemical species. Additionally, the fluorine atom can impart unique characteristics such as increased lipophilicity and altered boiling and melting points compared to non-fluorinated analogs. Overall, 1-Fluoro-4-isocyanato-2-methylbenzene is a compound of interest in organic synthesis and materials science due to its functional groups and structural features.
Formula:C8H6FNO
InChI:InChI=1S/C8H6FNO/c1-6-4-7(10-5-11)2-3-8(6)9/h2-4H,1H3
InChI key:InChIKey=QLOBMZKAOAACPA-UHFFFAOYSA-N
SMILES:N(=C=O)C1=CC(C)=C(F)C=C1
Synonyms:
  • 1-Fluoro-4-isocyanato-2-methylbenzene
  • 4-Fluoro-3-methylphenyl isocyanate
  • Benzene, 1-fluoro-4-isocyanato-2-methyl-
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