1-Methyl-5-nitroimidazole
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1-Methyl-5-nitroimidazole
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CAS No:
3034-42-2
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Formula:
C4H5N3O2
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Chemical Name:
1-Methyl-5-nitroimidazole
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Synonyms:
1H-Imidazole,1-methyl-5-nitro-;Imidazole,1-methyl-5-nitro-;1-Methyl-5-nitro-1H-imidazole;1-Methyl-5-nitroimidazole;5-Nitro-1-methylimidazole;65103-62-0
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CAS No:
1-Methyl-5-nitroimidazole Basic Attributes
127.103
127.10
221-225-2
LR2H69GV4P
DTXSID10184426
2933290090
Safety Information
NONH for all modes of transport
3
R22
NI7530000
Xn: Harmful;
P264, P270, P301+P312, P330, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.
1-Methyl-5-nitroimidazole Use and Manufacturing
5-Nitroimidazole (2) (1 g, 8.85 mmol) and dimethyl sulfate (1.2 mL) were added in dioxane (5 mL). Reaction mixture was refluxed for 2 h. The solvent was then evaporated under vacuum, and the oily acidic residue was neutralized by a NaHCO
1-Methyl-5-nitroimidazole is used in the synthesis of new 5-nitroimidazoles as potential antibacterial drugs via VNS procedure.
Computed Properties
Molecular Weight:127.10
XLogP3:0.2
Hydrogen Bond Acceptor Count:3
Exact Mass:127.038176411
Monoisotopic Mass:127.038176411
Topological Polar Surface Area:63.6
Heavy Atom Count:9
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
