1-Bromo-5-fluoropentane
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1-Bromo-5-fluoropentane
structure -
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CAS No:
407-97-6
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Formula:
C5H10BrF
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Chemical Name:
1-Bromo-5-fluoropentane
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Synonyms:
Pentane,1-bromo-5-fluoro-;1-Bromo-5-fluoropentane
- Categories:
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CAS No:
Characteristics
0
2.4
1.3604 g/cm3 @ Temp: 25 °C
162.0 °C
50.1ºC
1.424
Soluble in methanol (in methanol). Slightly soluble in water.
2.89mmHg at 25°C
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H226 (50%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501|Aggregated GHS information provided by 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Bromo-5-fluoropentane Use and Manufacturing
General procedure: To a solution of acetonitrile (5 mL) was added (0.5g, 1.6 mmol) 2-(4-(2- bromoethoxy)phenoxy)tetrahydro-2H-pyran, (0.4g, 3.2 mmol) 3-(fluoromethyl)azetidine hydrochloride, (0.66g, 4.8 mmol) potassium carbonate. The reaction mixture was stirred at 60 C and monitored by TLC. Upon completion, the reaction was extract by ethyl acetate, washed by water, brine and dried over Na2SO4. The organic extracts were evaporated under reduced pressure and purified by flash chromatography (1-10percent methanol in dichloromethane to give 0.45g white solid. (yield, 88percent) 1H NMR (400 MHz, CDCl3) delta 7.04' 6.96 (m, 2H), 6.87' 6.79 (m, 2H), 5.31 (t, J = 3.3 Hz, 1H), 4.56 (dd, J = 47.6, 5.3 Hz, 2H), 3.95 (t, J = 5.5 Hz, 2H), 3.72 ' 3.48 (m, 2H), 3.20 (t, J = 7.0 Hz, 2H), 2.99' 2.88 (m, 1H), 2.86 (t, J = 5.5 Hz, 2H), 2.08' 1.93 (m, 1H), 1.86-1.83 (m, 2H), 1.75' 1.56 (m, 4H). 13C NMR (101 MHz, CDCl3) delta 153.67, 151.25, 117.73, 115.28, 97.31, 84.21 (d, J = 167.0 Hz), 66.89, 62.10, 57.91, 56.56 (d, J = 6.9 Hz), 31.50, 31.40 (d, J = 20.3 Hz), 25.26, 18.94.
Computed Properties
Molecular Weight:169.04
XLogP3:2.4
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:4
Exact Mass:167.99499
Monoisotopic Mass:167.99499
Heavy Atom Count:7
Complexity:31.3
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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