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| CAS No.: | 4897-25-0 |
|---|---|
| Name: | 5-Chloro-1-methyl-4-nitroimidazole |
| Article Data: | 14 |
| Molecular Structure: | |
|
|
|
| Formula: | C4H4ClN3O2 |
| Molecular Weight: | 161.548 |
| Synonyms: | Imidazole,5-chloro-1-methyl-4-nitro- (6CI,7CI,8CI);1-Methyl-4-nitro-5-chloroimidazole;1H-Imidazole,5-chloro-1-methyl-4-nitro-;5-Chloro-1-methyl-4-nitro-1H-imidazole;CMNI;NSC 7852;P14;PCMNI;S 50154-9; |
| EINECS: | 225-521-2 |
| Density: | 1.65 g/cm3 |
| Melting Point: | 148-150 °C(lit.) |
| Boiling Point: | 362.3 °C at 760 mmHg |
| Flash Point: | 172.9 °C |
| Appearance: | White solid |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 63.64000 |
| LogP: | 1.50490 |
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Chemistry
Structure of 5-Chloro-1-methyl-4-nitroimidazole (CAS NO.4897-25-0):
IUPAC Name: 5-chloro-1-methyl-4-nitroimidazole
Empirical Formula: C4H4ClN3O2
Molecular Weight: 161.5465
EINECS: 225-521-2
Index of Refraction: 1.648
Molar Refractivity: 35.51 cm3
Molar Volume: 97.5 cm3
Polarizability: 14.07×10-24cm3
Surface Tension: 62.7 dyne/cm
Density: 1.65 g/cm3
Flash Point: 172.9 °C
Enthalpy of Vaporization: 58.42 kJ/mol
Melting Point: 148-150 °C(lit.)
Boiling Point: 362.3 °C at 760 mmHg
Vapour Pressure: 4.08E-05 mmHg at 25°C
Physical Appearance: White Solid
Product Categories: Heterocyclic Compounds;Imidaxoles;Heterocycles;Halogenated Heterocycles;Heterocyclic Building Blocks;Imidazoles;ImidazolesBuilding Blocks
Uses
5-Chloro-1-methyl-4-nitroimidazole (CAS NO.4897-25-0) can be used in organic synthesis,and is an important intermediate of anti-tumor azathioprine.
Production
5-Chloro-1-methyl-4-nitroimidazole(4897-25-0) can be derived from the nitration of 1 - methyl -5 - chloro-imidazole.
Toxicity Data With Reference
| 1. | mic-sat 10 µmol/plate | MUREAV Mutation Research. 58 (1978),1. |
Safety Profile
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and Cl−.
Hazard Codes:Xi
Risk Statements:
36: Irritating to the eyes
37: Irritating to the respiratory system
38: Irritating to the skin
Safety Statements:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37: Wear suitable gloves
39: Wear eye/face protection
WGK Germany: 3
RTECS: NI4397100
Specification
5-Chloro-1-methyl-4-nitroimidazole , its cas register number is 4897-25-0. It also can be called Imidazole, 5-chloro-1-methyl-4-nitro- ; 1H-Imidazole, 5-chloro-1-methyl-4-nitro- ; Imidazole, 5-chloro-1-methyl-4-nitro- .