2-BROMO-4,6-DIFLUORONITROBENZENE
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2-BROMO-4,6-DIFLUORONITROBENZENE
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CAS No:
884494-38-6
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Formula:
C6H2BrF2NO2
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Chemical Name:
2-BROMO-4,6-DIFLUORONITROBENZENE
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Synonyms:
2-BROMO-4,6-DIFLUORONITROBENZENE;1-broMo-3,5-difluoro-2-nitrobenzene
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CAS No:
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, P501
H302
|Warning|H302+H312+H332 (33.33%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, 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-BROMO-4,6-DIFLUORONITROBENZENE Use and Manufacturing
Add nitric acid (fuming, 20 mL) dropwise to a solution of1-bromo-3, 5-difluorobenzene (35.00 mL, 304 mmol) in sulthric acid (50 mL) at 00 c. Allow to slowly warm to room temperature and stir overnight. Pour the reaction mixture into a mix of ice and water (600 mL). Allow to slowly warm to room temperature. Add ethyl acetate (200 mL) and hexanes (100 mL). Stir until all solids dissolve. Separate the layers. Wash the organics with saturated aqueous sodium chloride, dry over anhydrous sodium sulfate, filter, andconcentrate in vacuo to give the title compound as a yellow oil (57.37 g, 79percent). GCMS mlz=237, 239 (Br).Add nitric acid (fuming, 20 mL) drop-wise to a solution of i-bromo-3, 5-difluorobenzene (35.00 rnL, 304 mmoi) in sulfuric acid (50 mL) at 0 ‘C. Slowly warm tort and stir overnight. Pour the reaction mixture into a mixture of ice and water (600 mL). Slowly warm to rt, Add EtOAc (200 mL) and hexanes (100 mL). Stir uniii all the solids dissolve. Separate the layers. Wash the organic layer with saturated aqueous sodiumchloride, dry over Na'S04, filter, and concentrate the filtrate in vcmcuo to give the title compound as a yellow oil (57.37 g. 79 percent). GC-MS m/z (79Br/8TBr) 237, 239 (M+H).
Computed Properties
Molecular Weight:237.99
XLogP3:2.6
Hydrogen Bond Acceptor Count:4
Exact Mass:236.92370
Monoisotopic Mass:236.92370
Topological Polar Surface Area:45.8
Heavy Atom Count:12
Complexity:187
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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