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| IUPAC Name: | 1-chloro-4-isocyanato-2-(trifluoromethyl)benzene |
| Description: | 4-Chloro-3-(trifluoromethyl)phenyl isocyanate (CAS# 327-78-6) 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. |
| Molecular Weight: | 221.56 |
| Molecular Formula: | C8H3ClF3NO |
| Canonical SMILES: | C1=CC(=C(C=C1N=C=O)C(F)(F)F)Cl |
| InChI: | InChI=1S/C8H3ClF3NO/c9-7-2-1-5(13-4-14)3-6(7)8(10,11)12/h1-3H |
| InChI Key: | NBJZEUQTGLSUOB-UHFFFAOYSA-N |
| Boiling Point: | 86-90 ℃ (14 mmHg) |
| Melting Point: | 35-36 ℃ |
| Purity: | 95 % |
| Density: | 1.4 g/cm3 |
| Appearance: | White to yellowish low melting solid, powder or chunks |
| MDL: | MFCD00013874 |
| LogP: | 3.32610 |
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