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Home > Encyclopedia > 5-Chloro-1-methyl-4-nitroimidazole

5-Chloro-1-methyl-4-nitroimidazole

5-Chloro-1-methyl-4-nitroimidazole structure

5-Chloro-1-methyl-4-nitroimidazole 

structure
  • CAS No:

    4897-25-0

  • Formula:

    C4H4ClN3O2

  • Chemical Name:

    5-Chloro-1-methyl-4-nitroimidazole

  • 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

  • Categories:

    Organic Chemistry  >  Nitro Compounds

Description

White Solid

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.

Drug Information

1-methyl- 4-nitro-5-chloroimidazoles

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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