4-Chloro-3-(trifluoromethyl)phenyl Isocyanate

CAS: 327-78-6

Ref. TR-C421940

Product Information

• Name: 4-Chloro-3-(trifluoromethyl)phenyl Isocyanate
• Synonyms: 1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene, Isocyanic Acid 4-Chloro-α,α,α-trifluoro-m-tolyl Ester, 1-Chloro-4-isocyanato-2-(trifluoromethyl)benzene, 3-Trifluoromethyl-4-chlorophenyl Isocyanate, 4-Chloro-1-isocyanato-3-trifluoromethylbenzene, 4-Chloro-α,α,α-trifluoro-m-tolyl Isocyanate
• Brand: TRC
• Description: Applications 4-Chloro-3-(trifluoromethyl)phenyl isocyanate is used as a reagent to synthesize pyrimidinylaminobenzene derivatives, compounds that have antiproliferative activity against melanoma cell lines. 4-Chloro-3-(trifluoromethyl)phenyl isocyanate is also used to synthesize α-thymidine analogues that act as antimalarial agents. Not a dangerous good if item is equal to or less than 1g/ml and there is less than 100g/ml in the packageReferences Cui, H., et al.: J. Med. Chem., 55, 10948 (2012); Kim, H., et al.: Bull. Kor. Chem. Soc., 34, 2311 (2013)

Chemical properties

• Molecular weight: 221.56
• Formula: C₈H₃ClF₃NO
• Color/Form: Neat
• InChI: InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H
• InChI key: InChIKey=NBJZEUQTGLSUOB-UHFFFAOYSA-N
• SMILES: O=C=Nc1ccc(Cl)c(C(F)(F)F)c1