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: 2024-04-08 17:36:13

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.