1-Bromo-2,5-dichloro-3-fluorobenzene
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1-Bromo-2,5-dichloro-3-fluorobenzene
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CAS No:
202865-57-4
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Formula:
C6H2BrCl2F
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Chemical Name:
1-Bromo-2,5-dichloro-3-fluorobenzene
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Synonyms:
Benzene,1-bromo-2,5-dichloro-3-fluoro-;1-Bromo-2,5-dichloro-3-fluorobenzene;3-Bromo-2,5-dichloro-1-fluorobenzene
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CAS No:
Safety Information
IRRITANT
NONH for all modes of transport
36/37/38-22
24/25
Xi,Xn
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|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 7 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-Bromo-2,5-dichloro-3-fluorobenzene Use and Manufacturing
To a solution of potassium KO'Bu (20.7 g, 185 mmol)) suspended in toluene (270mL) and DMPU (90 mL, 746 mmol) was added methanol (30 mL). The mixture was placed in an oil bath at 80 C under N2 with a reflux condenser for 25 minutes to obtain a solution. The solution was then allowed to cool to room temperature under N2, after which l-bromo-2, 5-dichloro-3- fluorobenzene (15 g, 61.5 mmol) was added dropwise to the solution and the resulting suspension was placed in an oil bath at 80 C under N2. After 4 h, the reaction mixture was allowed to cool to room temperature and was then diluted with hexanes (200 mL) and water. The layers were separated and the aqueous layer was extracted with hexanes. The combined organic portions were washed with water, dried (MgS04), filtered and concentrated to afford crude. The crude was purified by silica gel chromatography using 30% EtOAc/pet ether as an eluent to afford l-bromo-2, 5-dichloro-3-methoxybenzene (13 g, 81% yield) as off white solid. 1 H NMR (300 MHz, CDCL) d 7.26 (d, J = 2.8 Hz, 1H), 6.87 (d, J = 2.8 Hz, 1H), 3.93 (s, 3H).
Computed Properties
Molecular Weight:243.88
XLogP3:4
Hydrogen Bond Acceptor Count:1
Exact Mass:241.87010
Monoisotopic Mass:241.87010
Heavy Atom Count:10
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-Bromo-2,5-dichloro-3-fluorobenzene
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