3,5-BIS(TRIFLUOROMETHYL)PHENYL ISOCYANATE

• CAT Number: M075370
• CAS Number: 16588-74-2
• Molecular Formula: C9H3F6NO
• Molecular Weight: 255.12
• Purity: ≥95%
• Storage: -20°C
• IUPAC Name: 1-isocyanato-3,5-bis(trifluoromethyl)benzene
• InChI: InChI=1S/C9H3F6NO/c10-8(11,12)5-1-6(9(13,14)15)3-7(2-5)16-4-17/h1-3H
• InChIKey: NRSSOFNMWSJECS-UHFFFAOYSA-N
• SMILES: C1=C(C=C(C=C1C(F)(F)F)N=C=O)C(F)(F)F

3,5-Bis(trifluoromethyl)phenyl isocyanate(CAT: M075370) is a fluorinated aromatic isocyanate featuring two trifluoromethyl groups at the 3- and 5-positions and a reactive isocyanate (-NCO) functional group. This compound is valued for its strong electron-withdrawing properties and enhanced reactivity, making it ideal for synthesizing urea, carbamate, and heterocyclic derivatives. It is widely used in medicinal chemistry, agrochemical development, and material science for introducing fluorinated aromatic moieties that improve metabolic stability, lipophilicity, and bioactivity. Its high electrophilicity enables selective reactions with amines, alcohols, and other nucleophiles.