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
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) |
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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