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2-Chloro-4-nitroimidazole

Product Name
2-Chloro-4-nitroimidazole
CAS No.
57531-37-0
Chemical Name
2-Chloro-4-nitroimidazole
Synonyms
2-Chloro-4-nitro-1H-imidazole;TIMTEC-BB SBB000100;2-Chloro-4-nitro-1H-;2-Chloro-5-nitroimidazole;2-CHLORO-4-NITROIMIDAZOLE;2-Chloro-4(5)-nitroiMidazole;2-CHLORO-5-NITRO-1H-IMIDAZOLE;5-chloro-2-nitro-1H-iMidazole;2-chloro-4-nitro-3H-imidazole;2-Chloro-5-nitroimidazole,95%
CBNumber
CB6108658
Molecular Formula
C3H2ClN3O2
Formula Weight
147.52
MOL File
57531-37-0.mol
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2-Chloro-4-nitroimidazole Property

Melting point:
216-217 °C
Boiling point:
386.8±34.0 °C(Predicted)
Density 
1.740±0.06 g/cm3(Predicted)
storage temp. 
under inert gas (nitrogen or Argon) at 2-8°C
solubility 
DMSO (Slightly, Sonicated), Methanol (Slightly, Sonicated)
pka
5.65±0.10(Predicted)
form 
Solid
color 
Off-White to Pale Beige
InChI
InChI=1S/C3H2ClN3O2/c4-3-5-1-2(6-3)7(8)9/h1H,(H,5,6)
InChIKey
BOJZBRDIZUHTCE-UHFFFAOYSA-N
SMILES
C1(Cl)NC([N+]([O-])=O)=CN=1
CAS DataBase Reference
57531-37-0(CAS DataBase Reference)
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Safety

Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
26-36
HazardClass 
IRRITANT
HS Code 
2933299090
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Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal word
Warning
Hazard statements

H315Causes skin irritation

H319Causes serious eye irritation

H335May cause respiratory irritation

Precautionary statements

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P405Store locked up.

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N-Bromosuccinimide Price

TRC
Product number
C373935
Product name
2-Chloro-4-nitroimidazole
Packaging
100g
Price
$2360
Updated
2021/12/16
Apolloscientific
Product number
OR2577
Product name
2-Chloro-4-nitro-1H-imidazole
Packaging
1g
Price
$22
Updated
2021/12/16
SynQuest Laboratories
Product number
4H54-5-Z3
Product name
2-Chloro-4-nitro-1H-imidazole
Packaging
1g
Price
$28
Updated
2021/12/16
Biosynth Carbosynth
Product number
FC20104
Product name
2-Chloro-4-nitroimidazole
Packaging
5G
Price
$50
Updated
2021/12/16
Apolloscientific
Product number
OR2577
Product name
2-Chloro-4-nitro-1H-imidazole
Packaging
5g
Price
$58
Updated
2021/12/16
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2-Chloro-4-nitroimidazole Chemical Properties,Usage,Production

Chemical Properties

Light yellow solid

Uses

4-Nitroimidazole derivative with poetenial use as radiosensitizers of hypoxic cells. It is used in the preparation of antitubercular nitroimidazoles.

Uses

4-Nitroimidazole derivative with poetenial use as radiosensitizers of hypoxic cells. 2-Chloro-4-nitroimidazole is used in the preparation of antitubercular nitroimidazoles.

Synthesis

683276-67-7

57531-37-0

Example 9 Preparation of 2-chloro-4-nitroimidazole: 2-chloro-5-iodo-4-nitroimidazole (273 mg, 1.0 mmol) was dissolved in anhydrous ethanol (5 mL), followed by sequential addition of triethylamine (420 μL, 3.0 mmol) and 10% palladium-carbon catalyst (27 mg) to the solution. The reaction mixture was hydrogenated by stirring for 3 hours at room temperature and under an atmosphere of hydrogen at atmospheric pressure. Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated under reduced pressure to afford the colorless solid product 2-chloro-4-nitroimidazole (124 mg, 84.1% yield). The product was characterized by 1H-NMR (DMSO-d6): δ 8.44 (1H, s), 14.19 (1H, bs). Example 11 Preparation of 2-chloro-4-nitroimidazole: 2-chloro-5-iodo-4-nitroimidazole (545 mg, 2.0 mmol) was dissolved in anhydrous ethanol (10 mL), followed by sequential addition of triethylamine (840 μL, 6.0 mmol) and 10% palladium-carbon catalyst (54 mg) to the solution. The reaction mixture was hydrogenated under hydrogen pressure of 4 kg/cm2 in a pearl reduction apparatus. Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated under reduced pressure to give the colorless solid product 2-chloro-4-nitroimidazole (246 mg, 83.4% yield). The product was characterized by 1H-NMR (DMSO-d6): δ 8.44 (1H, s), 14.19 (1H, bs).

References

[1] Patent: WO2005/77913, 2005, A1. Location in patent: Page/Page column 76-77
[2] Patent: EP1553088, 2005, A1. Location in patent: Page/Page column 58-59
[3] Patent: EP1553088, 2005, A1. Location in patent: Page/Page column 58
[4] Patent: EP1553088, 2005, A1. Location in patent: Page/Page column 59

2-Chloro-4-nitroimidazole Preparation Products And Raw materials

Raw materials

Preparation Products

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2-Chloro-4-nitroimidazole Suppliers

Canada 1 China 194 Europe 2 Germany 3 India 4 South Korea 1 Switzerland 1 United Kingdom 8 United States 17 Global 231
Novachemistry
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View Lastest Price from 2-Chloro-4-nitroimidazole manufacturers

Xinxiang Hongqi District Houyuan Trading Co.,Ltd
Product
2-Chloro-4-nitroimidazole 57531-37-0
Price
US $30.00-28.00/Kg
Min. Order
1Kg
Purity
99.0% up
Supply Ability
50 tons per month
Release date
2022-09-26
Zhuozhou Wenxi import and Export Co., Ltd
Product
2-Chloro-4-nitroimidazole 57531-37-0
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-10
Zhuozhou Wenxi import and Export Co., Ltd
Product
2-Chloro-4-nitroimidazole 57531-37-0
Price
US $15.00-10.00/KG
Min. Order
1KG
Purity
99%+ HPLC
Supply Ability
Monthly supply of 1 ton
Release date
2021-07-09

57531-37-0, 2-Chloro-4-nitroimidazoleRelated Search:

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  • 2-Chloro-5-nitro-1H-imidazole, CAS 57531-37-0
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  • C3H2ClN3O2
  • Imidazoles & Benzimidazoles
  • NITRO
  • Aromatics
  • Heterocycles
  • Intermediates & Fine Chemicals
  • Pharmaceuticals
  • Halides
  • Imidazoles & Benzimidazoles
  • API intermediates