5-Chloro-1-methyl-4-nitroimidazole
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5-Chloro-1-methyl-4-nitroimidazole
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CAS No:
4897-25-0
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Formula:
C4H4ClN3O2
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Chemical Name:
5-Chloro-1-methyl-4-nitroimidazole
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Synonyms:
1H-Imidazole,5-chloro-1-methyl-4-nitro-;Imidazole,5-chloro-1-methyl-4-nitro-;5-Chloro-1-methyl-4-nitro-1H-imidazole;1-Methyl-4-nitro-5-chloroimidazole;5-Chloro-1-methyl-4-nitroimidazole;1-Methyl-5-chloro-4-nitroimidazole;S 50154-9;CMNI;P14;PCMNI;NSC 7852
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CAS No:
5-Chloro-1-methyl-4-nitroimidazole Basic Attributes
161.545
161.55
225-521-2
P917JW98BD
7852
DTXSID00197646
2933290090
Characteristics
63.6
0.3
White Solid
1.682 g/cm3
147-148 °C
362.3°C at 760 mmHg
172.9±22.3 °C
1.648
>24.2 [ug/mL]
Store in a cool, dry place. Store in a tightly closed container.
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S36-S37/39
NI4397100
Xi:Irritant;
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Chloro-1-methyl-4-nitroimidazole Use and Manufacturing
A solution of 1-methyl-5-chlorimidazole (57.0 g, 0.50 mol) and diluted nitric acid (690 ml, 1.15 mol) was concentrated to dryness. The obtained light-yellow oil (131.40 g) was added dropwise over 85 min in a nitrogen atmosphere to 214 ml ice-cold, concentrated sulfuric acid. Stirring subsequently took place for 2 h at 100° C. in a nitrogen atmosphere. The reaction solution was poured onto 21 of ice and the resultant precipitate was sucked out. This was washed neutral with ice water. 1-methyl-5-chloro-4-nitro-imidazole was obtained as white crystals (45.3 g, 62percent). Melting point: 147.5-148.9° C.
Computed Properties
Molecular Weight:161.55
XLogP3:0.3
Hydrogen Bond Acceptor Count:3
Exact Mass:160.9992041
Monoisotopic Mass:160.9992041
Topological Polar Surface Area:63.6
Heavy Atom Count:10
Complexity:148
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Chloro-1-methyl-4-nitroimidazole
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