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CAS 50528-80-8

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1,3,5-Trifluoro-2-isocyanatobenzene

Description:
1,3,5-Trifluoro-2-isocyanatobenzene, with the CAS number 50528-80-8, is an aromatic compound characterized by the presence of three fluorine atoms and an isocyanate functional group attached to a benzene ring. The trifluoromethyl groups contribute to its unique chemical properties, including increased electronegativity and potential reactivity. This compound is typically a colorless to pale yellow liquid or solid, depending on temperature and purity. It is known for its high stability under normal conditions but can react with nucleophiles due to the electrophilic nature of the isocyanate group. The presence of fluorine atoms enhances its lipophilicity and may influence its solubility in organic solvents. 1,3,5-Trifluoro-2-isocyanatobenzene is utilized in various applications, including the synthesis of pharmaceuticals, agrochemicals, and advanced materials. However, it should be handled with care due to its potential toxicity and reactivity, particularly in the presence of moisture, which can lead to the formation of harmful byproducts.
Formula:C7H2F3NO
InChI:InChI=1/C7H2F3NO/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H
InChI key:InChIKey=XORSGSHLSDFOHP-UHFFFAOYSA-N
SMILES:N(=C=O)C1=C(F)C=C(F)C=C1F
Synonyms:
  • 1,3,5-Trifluoro-2-Isocyanatobenzene
  • Benzene, 1,3,5-trifluoro-2-isocyanato-
  • 2,4,6-Trifluorophenyl isocyanate
  • 2,4,6-Trifluorophenylisocyanate85%
  • 2,4,6-TRIFLUOROPHENYL ISOCYANATE: TECH., 85%
  • 2,4,6-Trifluorophenyl isocyanate 85%
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