4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene
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4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene
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CAS No:
105529-58-6
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Formula:
C7H3BrF4O
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Chemical Name:
4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene
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Synonyms:
Benzene,4-bromo-2-fluoro-1-(trifluoromethoxy)-;4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene;1-Bromo-3-fluoro-4-trifluoromethoxybenzene;3-Fluoro-4-trifluoromethoxybromobenzene;4-Bromo-2-fluoro-1-trifluoromethoxybenzene;2-Fluoro-4-bromo-1-(trifluoromethoxy)benzene;4-Bromo-2-fluoro-1-(trifluoromethyloxy)benzene
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CAS No:
4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene Basic Attributes
259
259.00
430-850-1
DTXSID20381984
29093090
Safety Information
36/37/38
26-36/37/39-37
P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, P501
H227
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|H227 (16.67%): Combustible liquid [Warning Flammable liquids]|P210, P261, P264, P271, P280, P302+P352, 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 6 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene Use and Manufacturing
A suspension of Na (2.66 g, 116 mmol, 3 eq) in MeOH (40 mL) was stirred at 25C for 30 min. Then B2 (10 g, 38.6 mmol, 1 eq) was added into the above mixture. The reaction was stirred at 80C for 17 hours to give a yellow suspension. TLC showed starting material was not consumed completely. The mixture was cooled to room temperature. The mixture was adjusted pH to 1-2 by aqueous HC1 (4 M), extracted with EtOAc (200 mL x 2). The combined extract was washed with brine (200 mL x 2), dried over anhydrous Na2S04 and filtered, then concentrated under reduced pressure to give B3 (8.3 g, yield: 79%) as yellow oil.
Computed Properties
Molecular Weight:259.00
XLogP3:3.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:257.93034
Monoisotopic Mass:257.93034
Topological Polar Surface Area:9.2
Heavy Atom Count:13
Complexity:172
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-Bromo-2-fluoro-1-(trifluoromethoxy)benzene
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