| Identification | Back Directory | [Name]
1-METHYL-5-NITROIMIDAZOLE | [CAS]
3034-42-2 | [Synonyms]
1-methyl-5-nitro-imidazol
Metronidazole Impurity 4
Imidazole, 1-methyl-5-nitro-
1H-Imidazole, 1-methyl-5-nitro-
1-Methyl-5-nitroimidazole >97.0% (HPLC) | [EINECS(EC#)]
221-225-2 | [Molecular Formula]
C4H5N3O2 | [MDL Number]
MFCD00126968 | [MOL File]
3034-42-2.mol | [Molecular Weight]
127.101 |
| Chemical Properties | Back Directory | [Melting point ]
54-57 °C
| [Boiling point ]
328.9±15.0 °C(Predicted) | [density ]
1.44±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [solubility ]
Chloroform (Slightly), Methanol (Slightly) | [form ]
Solid | [pka]
2.13±0.10(Predicted) | [color ]
Pale Yellow | [BRN ]
123550 | [InChI]
1S/C4H5N3O2/c1-6-3-5-2-4(6)7(8)9/h2-3H,1H3 | [InChIKey]
JLZXSFPSJJMRIX-UHFFFAOYSA-N | [SMILES]
Cn1cncc1[N+]([O-])=O |
| Hazard Information | Back Directory | [Chemical Properties]
Pale Yellow Solid | [Uses]
Used in the synthesis of new 5-nitroimidazoles as potential antibacterial drugs via VNS procedure. | [Synthesis]
Example 2: 202 parts of 5-nitroimidazole were dissolved in 600 parts of 90% formic acid, followed by the addition of 250 parts of dimethyl sulfate. The reaction mixture was heated and kept for 6 hours. Upon completion of the reaction, the formic acid was removed by vacuum distillation. To the residue was added 420 parts of water and the mixture was cooled to 0°C to 5°C. The unreacted 5-nitroimidazole (60 parts) was separated by centrifugation. The pH of the mixture was adjusted to 10 using a 25% aqueous ammonia solution and the precipitate was precipitated at 0 °C to 5 °C. One hundred and thirty parts of 1-methyl-5-nitroimidazole were finally obtained with a melting point of 58°C to 60°C and a yield of 82% of the theoretical value (based on 4(5)-nitroimidazole). | [References]
[1] Patent: US4021442, 1977, A |
| Safety Data | Back Directory | [Hazard Codes ]
Xn | [Risk Statements ]
22 | [WGK Germany ]
3
| [RTECS ]
NI7530000
| [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
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