5-Bromo-2,2-difluorobenzodioxole
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5-Bromo-2,2-difluorobenzodioxole
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CAS No:
33070-32-5
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Formula:
C7H3BrF2O2
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Chemical Name:
5-Bromo-2,2-difluorobenzodioxole
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Synonyms:
5-BROMO-2,2-DIFLUORO-1,3-BENZODIOXOLE;5-BROMO-2,2-DIFLUORO-BENZO[1,3]DIOXOLE;5-BROMO-2,2-DIFLUOROBENZODIOXOLE;4-Bromo-1,2-[(difluoromethylene)dioxy]benzene~3,4-[(Difluoromethylene)dioxy]bromobenzene;5-Bromo-2,2-difluoro-1,3-benzodioxole, 97+%;3,4-[(difluoromethylene)dioxy]bromobenzene;4-bromo-1,2-[(difluoromethylene)dioxy]benzene;5-Bromo-2,2-difluoro-1,3-benzodioxole 98%
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CAS No:
Characteristics
18.5
3.2
1.9±0.1 g/cm3
78-79°C20mm
>75°C
1.573
Miscible with hexane.
Room temperature.
Safety Information
IRRITANT
36-41
26-36
Xi
Irritant
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H302 (12.5%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 8 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Bromo-2,2-difluorobenzodioxole Use and Manufacturing
2, 2-difluoro-l, 3-benzodioxole (200g, 1.27mol) and water (456g, 25.3mol) were placed in a 1000 mL round -bottomed flask fitted with a mechanical stirrer, reflux condenser and pressure equalizing addition funnel. Bromine (284g, 1.77mol) was added drop-wise at 25°C for one hour. During addition, the temperature of the mass was raised from 25°C to 85°C. The temperature of the reaction mass was maintained at 85°C for 8 hours. The progress of the reaction was monitored by liquid chromatography. The temperature of the reaction mass was brought down to 25°C. The layers were separated, the organic layer was washed with sodium bisulphite solution followed by sodium bicarbonate solutionto obtain the title compound. The crude mass was purified by vacuum distillation. Yield (percent) : 80 Purity (percent) : 99.8 (by liquid chromatography)Example 1Process of preparation of 5-bromo-2, 2-difluoro-1, 3-benzodioxole
Computed Properties
Molecular Weight:237.00
XLogP3:3.2
Hydrogen Bond Acceptor Count:4
Exact Mass:235.92845
Monoisotopic Mass:235.92845
Topological Polar Surface Area:18.5
Heavy Atom Count:12
Complexity:188
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Bromo-2,2-difluorobenzodioxole
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