2,4-Dichlorobenzyl bromide
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2,4-Dichlorobenzyl bromide
structure -
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CAS No:
20443-99-6
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Formula:
C7H5BrCl2
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Chemical Name:
2,4-Dichlorobenzyl bromide
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Synonyms:
Benzene,1-(bromomethyl)-2,4-dichloro-;Toluene,α-bromo-2,4-dichloro-;1-(Bromomethyl)-2,4-dichlorobenzene;2,4-Dichlorobenzyl bromide
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CAS No:
Characteristics
0
4
1.7±0.1 g/cm3
126-133 °C @ Press: 8 Torr
126.2±13.3 °C
1.597
0-10°C
0.019mmHg at 25°C
Safety Information
3261
P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, P501
H290
|Danger|H290 (33.33%): May be corrosive to metals [Warning Corrosive to Metals]|P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, and P501|Aggregated GHS information provided by 3 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2,4-Dichlorobenzyl bromide Use and Manufacturing
General procedure: Ethyl α, α-dibromoacetoacetate 2a (0.41 mmol, 1.2 equiv), alcohols 1a-1s (0.34 mmol, 1.0 equiv) and Ph3P (0.68 mmol, 2.0 equiv) were added under ambient temperature to 3 mL of DCE in air. After stirred at room temperature for appropriate time (monitored by TLC), the reaction was quenched by addition of H2O (3 mL) and then extracted with ethyl acetate (3×3 mL). The combined organic layer was washed with brine, dried over Na2SO4, and concentrated. The crude product was purified by column chromatography on silica gel with petroleum ether or mixture of petroleum ether and ethyl acetate as eluent to afford the corresponding products 3a-3s.To a 100 mL round bottom flask was added 2, 4-dichlorobenzyl alcohol (17.7 g, 0.1 mol)And dichloromethane (30 mL) and DMF (1 mL), followed by the addition of phosphorus tribromide (9.2 g, 0.034 mol), slowly warming to 80 ° C, stirring for 2 to 3 hours, Indicating that the raw material point disappeared, distillation was 2, 4 - dichloro Bian bromine 23.52g, yield 98percent.
Computed Properties
Molecular Weight:239.92
XLogP3:4
Rotatable Bond Count:1
Exact Mass:237.89517
Monoisotopic Mass:237.89517
Heavy Atom Count:10
Complexity:108
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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