4-Bromo-2,8-bis(trifluoromethyl)quinoline
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4-Bromo-2,8-bis(trifluoromethyl)quinoline
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CAS No:
35853-45-3
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Formula:
C11H4BrF6N
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Chemical Name:
4-Bromo-2,8-bis(trifluoromethyl)quinoline
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Synonyms:
Quinoline,4-bromo-2,8-bis(trifluoromethyl)-;4-Bromo-2,8-bis(trifluoromethyl)quinoline;2,8-Bis(trifluoromethyl)-4-bromoquinoline
- Categories:
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CAS No:
4-Bromo-2,8-bis(trifluoromethyl)quinoline Basic Attributes
344.05
344.05
1533716-785-6
DTXSID60399008
2933499090
Characteristics
12.9
4.7
Off-white to yellow Crystalline Powder
1.7±0.1 g/cm3
60 °C
281.6°C at 760 mmHg
124.1±25.9 °C
1.510
Safety Information
3
36/37/38
26-37/39
Xi
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-2,8-bis(trifluoromethyl)quinoline Use and Manufacturing
Phosphorous oxybromide (4 g, 14.2 mmol), under an argon atmosphere, was heated to 90 °C until complete dissolution of the solid. Compound 5 (4.08 g, 14.2 mmol) was added to this hot solution and the bath temperature was increased to 150 °C. After 6 h, the resulting mixture was allowed to cool to room temperature. The reaction mixture was quenched by addition of ice-cold water and the precipitate formed was filtered and washed with water to afford the expected compound 6a (4.70 g, 96percent) as a white solid. R4-bromo-2, 8-bis(trifluoromethyl)quinoline (6a)Phosphorous oxybromide (4 g, 14.2 mmol), under argon atmosphere, was heated to 90 °C until complete dissolution of the solid. 4-hydroxyquinoline 5 (4.08 g, 14.2 mmol) was added to this hot solution and the bath temperature was increased to 150 °C. After 6 h, the resulting mixture was cooled to room temperature. The reaction mixture was quenched by addition of ice-cold water and the precipitated formed was filtered and washed with water to afford the expected compound 6a (4.70 g, 96percent) as a white solid. R4-bromo-2, 8-bis(trifluoromethyl)quinoline (6a)
Computed Properties
Molecular Weight:344.05
XLogP3:4.7
Hydrogen Bond Acceptor Count:7
Exact Mass:342.94313
Monoisotopic Mass:342.94313
Topological Polar Surface Area:12.9
Heavy Atom Count:19
Complexity:328
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Bromo-2,8-bis(trifluoromethyl)quinoline
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