| Identification | More | [Name]
2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE | [CAS]
83012-13-9 | [Synonyms]
2,8-BIS(TRIFLUOROMETHYL)-4-CHLOROQUINOLINE
4-CHLORO-2,8-BIS(TRIFLUOROMETHYL)QUINOLINE
4-CHLORO-2,8-DI(TRIFLUOROMETHYL)QUINOLINE
BUTTPARK 147\04-11
2,8-Bis(trifluoromethyl)-4-chloroquinoline 97%
2,8-Bis(trifluoromethyl)-4-chloroquinoline97%
4-CHLORO-2 8-BIS(TRIFLUOROMETHYL)QUINOLINE 97% | [EINECS(EC#)]
280-132-5 | [Molecular Formula]
C11H4ClF6N | [MDL Number]
MFCD00075104 | [Molecular Weight]
299.6 | [MOL File]
83012-13-9.mol |
| Chemical Properties | Back Directory | [Appearance]
beige crystalline powder | [Melting point ]
46-48 °C (lit.) | [Boiling point ]
148-152 °C(Press: 18 Torr) | [density ]
1.5242 (estimate) | [Fp ]
>230 °F
| [storage temp. ]
under inert gas (nitrogen or Argon) at 2-8°C | [form ]
Crystalline Powder | [pka]
-3.49±0.50(Predicted) | [color ]
Beige | [InChI]
1S/C11H4ClF6N/c12-7-4-8(11(16,17)18)19-9-5(7)2-1-3-6(9)10(13,14)15/h1-4H | [InChIKey]
ZSQOESPYYNJBCZ-UHFFFAOYSA-N | [SMILES]
FC(F)(F)c1cc(Cl)c2cccc(c2n1)C(F)(F)F | [CAS DataBase Reference]
83012-13-9(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 .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [HS Code ]
29334900 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Eye Irrit. 2
Skin Irrit. 2
STOT SE 3 |
| Hazard Information | Back Directory | [Chemical Properties]
beige crystalline powder | [Uses]
4-Chloro-2,8-bis(trifluoromethyl)quinolone is the intermediate formed during the synthesis of quinoline derivatives. | [General Description]
4-Chloro-2,8-bis(trifluoromethyl)quinolone is the intermediate formed during the synthesis of quinoline derivatives. | [Synthesis]
General procedure for the synthesis of 4-chloro-2,8-bis(trifluoromethyl)quinoline from 2,8-bis(trifluoromethyl)-4-hydroxyquinoline: 2,8-bis(trifluoromethyl)quinolin-4-ol (0.25 g, 0.89 mmol) was dissolved in phosphorus trichloride (5 mL) and the reaction was carried out at reflux for 5 h at 80 °C under nitrogen protection. Upon completion of the reaction, the reaction mixture was quenched with 30 mL of ice water and extracted with dichloromethane (2 x 20 mL). The organic phases were combined, dried with anhydrous magnesium sulfate, filtered and concentrated under reduced pressure to give a light yellow solid product (0.13 g, 50% yield), which could be used in subsequent reactions without further purification. | [References]
[1] Tetrahedron, 1991, vol. 47, # 36, p. 7609 - 7614
[2] European Journal of Medicinal Chemistry, 2010, vol. 45, # 8, p. 3374 - 3383
[3] Monatshefte fur Chemie, 2008, vol. 139, # 2, p. 179 - 181
[4] Bioorganic and Medicinal Chemistry Letters, 2014, vol. 24, # 23, p. 5466 - 5469
[5] Patent: US4429130, 1984, A |
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