1-Bromo-3-fluoro-5-nitrobenzene
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1-Bromo-3-fluoro-5-nitrobenzene
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CAS No:
7087-65-2
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Formula:
C6H3BrFNO2
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Chemical Name:
1-Bromo-3-fluoro-5-nitrobenzene
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Synonyms:
Benzene,1-bromo-3-fluoro-5-nitro-;1-Bromo-3-fluoro-5-nitrobenzene
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CAS No:
1-Bromo-3-fluoro-5-nitrobenzene Basic Attributes
190.01
220.00
1533716-785-6
DTXSID20567064
2904909090
Safety Information
6.1
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 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|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|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
1-Bromo-3-fluoro-5-nitrobenzene Use and Manufacturing
To a solution of 2-27 (702 mg, 3 mmol) in EtOH (3 mL) at 0 °C, was added 6 ml 60percent H2S04 followed by slow addition (in portions) of NaNO2 (414 mg, 6 mmol). Upon reaction completion of the addition, the stirring was continued for lh while the temperature was kept during 0-5 °C. FeSO47H2O (4.38 g, 6 mmol) was then added and the resulting mixture was stirred for another 3h. The mixture was then concentrated, water was added and the resulting aqueous mixture was extracted with DCM (20 mL x 3). The combined organic layers were washed with brine (20 mL), dried over Na2SO4, filtered and concentrated. The resulting residue was purified by prep-TLC and eluted with DCM/MeOH = 60/1 to provide intermediate 2-28 (yellow solid, 448 mg, 68percent yield).
Computed Properties
Molecular Weight:220.00
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Exact Mass:218.93312
Monoisotopic Mass:218.93312
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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