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| | 4-CHLORO-2-(TRIFLUOROMETHYL)QUINOLINE Basic information | | Uses |
| | 4-CHLORO-2-(TRIFLUOROMETHYL)QUINOLINE Chemical Properties |
| Melting point | 34-38 °C | | Boiling point | 236.4±35.0 °C(Predicted) | | density | 1.427±0.06 g/cm3(Predicted) | | Fp | 225°C | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | pka | -1.19±0.50(Predicted) | | form | powder to lump to clear liquid | | color | White or Colorless to Almost white or Almost colorless | | InChI | 1S/C10H5ClF3N/c11-7-5-9(10(12,13)14)15-8-4-2-1-3-6(7)8/h1-5H | | InChIKey | ONNDFDQMHCNEGF-UHFFFAOYSA-N | | SMILES | FC(F)(F)c1cc(Cl)c2ccccc2n1 | | CAS DataBase Reference | 1701-24-2(CAS DataBase Reference) |
| Hazard Codes | Xi | | Risk Statements | 20/21/22-36/37/38 | | Safety Statements | 26-36/37/39-37/39 | | WGK Germany | 3 | | HazardClass | IRRITANT | | HS Code | 2933499090 | | Storage Class | 11 - Combustible Solids | | Hazard Classifications | Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
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ALFA
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| | 4-CHLORO-2-(TRIFLUOROMETHYL)QUINOLINE Usage And Synthesis |
| Uses | 4-Chloro-2-(trifluoromethyl)quinoline is a pharmaceutical intermediate that can be used to prepare N-(4-nitrophenylethyl)-2-(trifluoromethyl)quinoline-4-amine, a STAT3 inhibitor. | | Synthesis | 4-Chloro-2-(trifluoromethyl)quinoline (100.0 mg, 0.43 mmol), 2-(4-nitrophenyl)ethan-1-amine hydrochloride (87.0 mg, 0.43 mmol) and Et3N (180.0 L, 1.29 mmol) were added to NMP (1.0 mL). The reaction mixture was allowed to react in a microwave oven (50 W, at 100 C) for 1 h and then cooled to room temperature. After adding ice water, the reaction mixture was extracted with CH2Cl2. The organic layer was washed with brine, dried with Na2SO4 and filtered. The residue obtained under reduced pressure was purified by supercolumn chromatography on an amine silica column (CH2Cl2:MeOH = 20:1). The grades containing the product were collected and evaporated to give the white solid compound, N-(4-nitrophenylethyl)-2-(trifluoromethyl)quinolin-4-amine (35.0 mg, 23%). |
| | 4-CHLORO-2-(TRIFLUOROMETHYL)QUINOLINE Preparation Products And Raw materials |
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