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| | 4-isothiocyanato-2-(trifluoroMethyl)benzonitrile Basic information |
| Product Name: | 4-isothiocyanato-2-(trifluoroMethyl)benzonitrile | | Synonyms: | Benzonitrile,4-isothiocyanato-2-(trifluoroMethyl)-;3. 4-Isothiocyanato-2-(trifluoroMethyl)benzonitrile;4-cyano-3-trifluoromenthylphenylisothiocyanate;4-Isothiocyanato-2-(trifluoromethyl)benzonitrile,Enzalutamide intermediate;4-isothiocyananto-2-(trifluoromethyl) benzonitrile;4-ISOTHIOCYANATO-2-(TRIFLUOROMETHYL)BENZONITRILE/4-CYANO-3-TRIFLUOROMETHYLPHENYLISOTHIOCYANATE /CAS NO: 143782-23-4;Enzalutamide intermediate;Enzalutamide Impurity Z | | CAS: | 143782-23-4 | | MF: | C9H3F3N2S | | MW: | 228.19 | | EINECS: | 1592732-453-0 | | Product Categories: | 143782-23-4 | | Mol File: | 143782-23-4.mol |  |
| | 4-isothiocyanato-2-(trifluoroMethyl)benzonitrile Chemical Properties |
| Melting point | 39.0 to 43.0 °C | | Boiling point | 331℃ | | density | 1.31 | | Fp | 154℃ | | storage temp. | Inert atmosphere, 2-8°C | | solubility | Chloroform (Sparingly), DMSO (Sparingly), Methanol (Slightly) | | form | powder to lump | | color | White to Yellow to Green | | Stability: | Hygroscopic, Moisture sensitive | | InChI | InChI=1S/C9H3F3N2S/c10-9(11,12)8-3-7(14-5-15)2-1-6(8)4-13/h1-3H | | InChIKey | TYXKOMAQTWRDCR-UHFFFAOYSA-N | | SMILES | C(#N)C1=CC=C(N=C=S)C=C1C(F)(F)F | | CAS DataBase Reference | 143782-23-4 |
| RIDADR | UN3439 | | HazardClass | 6.1 | | HS Code | 2929100090 |
| | 4-isothiocyanato-2-(trifluoroMethyl)benzonitrile Usage And Synthesis |
| Uses | 4-Cyano-3-trifluoromethylphenylisothiocyanate is an reagent used in the synthesis of thioxoimidazolidinones as potential anti-prostate cancer agents. | | Uses |
4-isothiocyanato-2-(trifluoroMethyl)benzonitrile is a reagent used to synthesize thioimidazolinone compounds and is a potential anti-prostate cancer drug. It is also used as an intermediate of enzalutamide.
| | Synthesis | 
4-Amino-2-trifluoromethylbenzonitrile, (2.23 g, 12 mmol) was added portionwise over15 minutes into the well-stirred heterogeneous mixture of thiophosgene (1 ml, 13 mmol) in water (22 ml) at room temperature. Stirring was continued for an additional 1 h. The reaction medium was extracted with chloroform (3 x 15 ml). The combined organic phase was dried over MgSO4 and evaporated to dryness under reduced pressure to yield desired product, 4-isothiocyanato-2-trifluoromethylbenzonitrile, (Ia), as brownish solid and was used as such for the next step (2.72 g, 11.9 mmol, 99%). |
| | 4-isothiocyanato-2-(trifluoroMethyl)benzonitrile Preparation Products And Raw materials |
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