5-BROMO-4-NITRO-1H-IMIDAZOLE
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5-BROMO-4-NITRO-1H-IMIDAZOLE
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CAS No:
6963-65-1
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Formula:
C3H2BrN3O2
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Chemical Name:
5-BROMO-4-NITRO-1H-IMIDAZOLE
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Synonyms:
5-bromo-4-nitroimidazole;4-BroMo-5-nitroiMidazole;4-Nitro-5-bromoimidazole;5(4)-Bromo-4(5)-nitroimidazole;NSC 54255
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CAS No:
Safety Information
|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.
5-BROMO-4-NITRO-1H-IMIDAZOLE Use and Manufacturing
4-Bromo-1H-imidazole (2.0 g, 13.6 mmol) was reacted with concentrated nitric acid (0.947 ML, 14.96 mmol) in concentrated sulfuric acid (20 ML) at 110° C. for 1 hour.The reaction was cooled to 25° C. and poured into 200 ML of ice water.The resulting white precipitate formed was collected by filtration to give the title compound (2.3 g, 87percent). MS (ESI-) m/z 191 (M-H)-. 1H NMR (300 MHz, DMSO-d6) d ppm 7.99 (s, 1H).
Computed Properties
Molecular Weight:191.97
XLogP3:1.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Exact Mass:190.93304
Monoisotopic Mass:190.93304
Topological Polar Surface Area:74.5
Heavy Atom Count:9
Complexity:125
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
