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CAS 51903-64-1

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3-(Trifluoromethyl)-4-methylphenyl Isocyanate

Description:
3-(Trifluoromethyl)-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 has both a trifluoromethyl group (-CF3) and a methyl group (-CH3) as substituents. This compound typically exhibits a high reactivity due to the isocyanate group, making it useful in various chemical reactions, particularly in the synthesis of polyurethanes and other polymers. The trifluoromethyl group contributes to its unique electronic properties, enhancing its lipophilicity and potentially influencing its reactivity and stability. Additionally, the presence of fluorine atoms can impart distinctive characteristics such as increased thermal stability and altered solubility in organic solvents. As with many isocyanates, this compound may pose health risks, including respiratory irritation and sensitization, necessitating careful handling and appropriate safety measures in laboratory and industrial settings. Overall, 3-(Trifluoromethyl)-4-methylphenyl isocyanate is a valuable compound in synthetic organic chemistry with specific applications in material science.
Formula:C9H6F3NO
InChI:InChI=1/C9H6F3NO/c1-6-2-3-7(13-5-14)4-8(6)9(10,11)12/h2-4H,1H3
SMILES:Cc1ccc(cc1C(F)(F)F)N=C=O
Synonyms:
  • 4-Isocyanato-1-Methyl-2-(Trifluoromethyl)Benzene
  • 4-Methyl-3-(Trifluoromethyl)Phenylisocyanate
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