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HomeProduct name list5-Chloro-1-methyl-4-nitroimidazole

5-Chloro-1-methyl-4-nitroimidazole

  • CAS NO.:4897-25-0
  • Empirical Formula: C4H4ClN3O2
  • Molecular Weight: 161.55
  • MDL number: MFCD00233664
  • EINECS: 225-521-2
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-08-08 18:06:34
5-Chloro-1-methyl-4-nitroimidazole Structural

What is 5-Chloro-1-methyl-4-nitroimidazole?

Description

5-Chloro-1-methyl-4-nitroimidazole is an intermediate in azathioprine synthesis, also present in the end product. It induced contact dermatitis in a man working on azathioprine synthesis. Cross reactivity is possible with imidazoles tioconazole, and econazole.

Chemical properties

White Solid

The Uses of 5-Chloro-1-methyl-4-nitroimidazole

5-Chloro-1-methyl-4-nitroimidazole (CMNI) is suitable for use in the rapid mix experiments to investigate the mechanism of anomalous radiosensitization of mammalian cells by CMNI. It may be used in the synthesis of 5-aryl-1-methyl-4-nitroimidazoles, via Suzuki coupling with arylboronic acids, catalyzed by dichlorobis-(triphenylphosphine)palladium(II), K2CO3 and tetrabutylammonium bromide.

General Description

5-Chloro-1-methyl-4-nitroimidazole is an 4-nitroimidazole derivative.

Contact allergens

This intermediate in azathioprine synthesis is also present in the end product. It induced contact dermatitis in a man working on azathioprine synthesis. Cross-reactivity is possible with imidazoles tioconazole and econazole.

Properties of 5-Chloro-1-methyl-4-nitroimidazole

Melting point: 148-150 °C (lit.)
Boiling point: 362.3±22.0 °C(Predicted)
Density  1.9518 (rough estimate)
refractive index  1.5500 (estimate)
storage temp.  Inert atmosphere,2-8°C
solubility  Chloroform (Slightly), Methanol (Slightly)
form  Powder
pka -1.37±0.61(Predicted)
color  White
CAS DataBase Reference 4897-25-0(CAS DataBase Reference)
NIST Chemistry Reference 1H-imidazole, 5-chloro-1-methyl-4-nitro-(4897-25-0)

Safety information for 5-Chloro-1-methyl-4-nitroimidazole

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H315:Skin corrosion/irritation
H319:Serious eye damage/eye irritation
H335:Specific target organ toxicity, single exposure;Respiratory tract irritation
Precautionary Statement Codes P261:Avoid breathing dust/fume/gas/mist/vapours/spray.
P264:Wash hands thoroughly after handling.
P264:Wash skin thouroughly after handling.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P304+P340:IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.
P405:Store locked up.

Computed Descriptors for 5-Chloro-1-methyl-4-nitroimidazole

InChIKey OSJUNMSWBBOTQU-UHFFFAOYSA-N

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