| Identification | More | [Name]
4-Chloro-6-(trifluoromethyl)quinoline | [CAS]
49713-56-6 | [Synonyms]
4-CHLORO-6-(TRIFLUOROMETHYL)QUINOLINE
BUTTPARK 14\01-63
4-Chloro-6-(trifluoromethyl)quinoline 98%
4-Chloro-6-(trifluoromethyl)quinoline98% | [Molecular Formula]
C10H5ClF3N | [MDL Number]
MFCD00153106 | [Molecular Weight]
231.6 | [MOL File]
49713-56-6.mol |
| Chemical Properties | Back Directory | [Melting point ]
48°C | [Boiling point ]
265.5±35.0 °C(Predicted) | [density ]
1.427±0.06 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,2-8°C | [pka]
2.45±0.16(Predicted) | [Appearance]
Pale purple to purple Solid | [InChI]
InChI=1S/C10H5ClF3N/c11-8-3-4-15-9-2-1-6(5-7(8)9)10(12,13)14/h1-5H | [InChIKey]
FTNQANJWBFKPIP-UHFFFAOYSA-N | [SMILES]
N1C2C(=CC(C(F)(F)F)=CC=2)C(Cl)=CC=1 | [CAS DataBase Reference]
49713-56-6(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin . | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection . | [RIDADR ]
UN 2811 6.1 / PGIII | [WGK Germany ]
3 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
2933499090 |
| Hazard Information | Back Directory | [Synthesis]
4-Hydroxy-6-trifluoromethylquinoline (50 mg, 0.2 mmol) was used as starting material and synthesized with reference to the method reported in Bioorganic & Medicinal Chemistry Letters, 2005, 15(4), 1015-1018. The raw material was added to phosphorus trichloride (108 mg, 0.7 mmol). After the addition was completed, the reaction mixture was heated to 90 °C and stirred continuously for 2 hours. Upon completion of the reaction, the pH was adjusted to 8-9 by slow dropwise addition of saturated sodium bicarbonate solution.Subsequently, extraction was carried out with ethyl acetate (30 mL x 3). The organic phases were combined and concentrated under reduced pressure to afford the target product 4-chloro-6-(trifluoromethyl)quinoline (60 mg, colorless oil), which could be used directly in the subsequent reaction without further purification. | [References]
[1] Bioorganic and Medicinal Chemistry Letters, 2005, vol. 15, # 4, p. 1015 - 1018
[2] Patent: KR2016/6207, 2016, A. Location in patent: Paragraph 0188; 0191-0194
[3] Patent: US2016/108035, 2016, A1. Location in patent: Paragraph 0136-0137 |
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