Name | 1-Methyl-4-Nitro-5-chloro imidazole |
Synonyms | pcmni A(S50154-9) Azathioprine EP Impurity C 1-Methyl-4-Nitro-5-chloroimidazole 5-Chloro-1-methyl-4-nitroimidazole 5-chloro-1-methyl-4-nitro-imidazol 1-Methyl-5-chloro-4-nitroimidazole 1-Methyl-4-Nitro-5-chloro imidazole 5-Chloro-1-methyl-4-nitro imidazole Imidazole, 5-chloro-1-methyl-4-nitro- 5-chloro-1-methyl-4-nitro-1H-imidazole 5-chloro-1-methyl-4-nitroimidazole Solution, 100ppm |
CAS | 4897-25-0 |
EINECS | 225-521-2 |
InChI | InChI=1/C4H4ClN3O2/c1-7-2-6-4(3(7)5)8(9)10/h2H,1H3 |
InChIKey | OSJUNMSWBBOTQU-UHFFFAOYSA-N |
Molecular Formula | C4H4ClN3O2 |
Molar Mass | 161.55 |
Density | 1.9518 (rough estimate) |
Melting Point | 148-150 °C (lit.) |
Boling Point | 362.3±22.0 °C(Predicted) |
Flash Point | 172.9°C |
Solubility | Chloroform (Slightly), Methanol (Slightly) |
Vapor Presure | 4.08E-05mmHg at 25°C |
Appearance | White to Brown Solid |
Color | White |
pKa | -1.37±0.61(Predicted) |
Storage Condition | Inert atmosphere,2-8°C |
Refractive Index | 1.5500 (estimate) |
MDL | MFCD00233664 |
Physical and Chemical Properties | White crystalline powder. |
Use | Used in organic synthesis, is an important intermediate of anti-tumor drug azathioprine |
Hazard Symbols | Xi - Irritant |
Risk Codes | 36/37/38 - Irritating to eyes, respiratory system and skin. |
Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. S37/39 - Wear suitable gloves and eye/face protection |
WGK Germany | 3 |
RTECS | NI4397100 |
HS Code | 29332900 |
Hazard Class | IRRITANT |
melting point 148-149 °c.
with diethyl oxalate as raw material, obtained by amination, cyclization, chlorination and nitration.
synthesis of anti-tumor and adjuvant drug azathioprine.