| Identification | More | [Name]
2-Methyl-4-nitroimidazole | [CAS]
696-23-1 | [Synonyms]
2-METHYL-4(5)-NITROIMIDAZOLE
2-METHYL-4-NITRO-1 H-IMIDAZOLE
2-methyl-4-nitro-1h-imidazol
2-methyl-4-nitro-imidazol
2-methyl-4-nitroimidazole
2-methyl-5-nitro-1h-imidazole
2-methyl-5-nitro-imidazol
menidazole
1H-Imidazole, 2-methyl-4-nitro-
2-methyl-4-nitro-1h-imidazo
2-Methyl-4(5)-nitroimidazol
RP 8532
RP-8532 | [EINECS(EC#)]
211-790-3 | [Molecular Formula]
C4H5N3O2 | [MDL Number]
MFCD00005191 | [Molecular Weight]
127.1 | [MOL File]
696-23-1.mol |
| Chemical Properties | Back Directory | [Appearance]
solid | [Melting point ]
251-255 °C(lit.) | [Boiling point ]
235.85°C (rough estimate) | [density ]
1.4748 (rough estimate) | [refractive index ]
1.5000 (estimate) | [Fp ]
195℃ | [storage temp. ]
2-8°C | [solubility ]
DMSO (Sparingly), Methanol (Sparingly) | [form ]
neat | [pka]
8.87±0.10(Predicted) | [Stability:]
Stable. Incompatible with strong oxidizing agents. | [Water Solubility ]
3.01g/L(20 ºC) | [BRN ]
4032 | [Major Application]
forensics and toxicology
pharmaceutical (small molecule) | [InChI]
1S/C4H5N3O2/c1-3-5-2-4(6-3)7(8)9/h2H,1H3,(H,5,6) | [InChIKey]
FFYTTYVSDVWNMY-UHFFFAOYSA-N | [SMILES]
Cc1ncc([nH]1)[N+]([O-])=O | [CAS DataBase Reference]
696-23-1(CAS DataBase Reference) | [EPA Substance Registry System]
696-23-1(EPA Substance) |
| Safety Data | Back Directory | [Symbol(GHS) ]
GHS07 | [Signal word ]
Warning | [Hazard statements ]
H302 | [Precautionary statements ]
P264-P270-P301+P312-P501 | [Hazard Codes ]
Xn | [Risk Statements ]
R68:Possible risk of irreversible effects. | [Safety Statements ]
S36/37:Wear suitable protective clothing and gloves . | [WGK Germany ]
3
| [RTECS ]
NI7550000
| [TSCA ]
Yes | [REACH Registrations]
Active | [HS Code ]
2933290000 | [Storage Class]
11 - Combustible Solids | [Hazard Classifications]
Acute Tox. 4 Oral |
| Hazard Information | Back Directory | [Chemical Properties]
solid | [Uses]
2-Methyl-4(5)-nitroimidazole was used to study the mechanism of both the alkaline and acidic hydrolysis of tinidazole. | [Uses]
Floconazole impurity. | [Definition]
ChEBI:2-Methyl-5-nitroimidazole is a C-nitro compound and a member of imidazoles. | [General Description]
Pharmaceutical secondary standards for application in quality control, provide pharma laboratories and manufacturers with a convenient and cost-effective alternative to the preparation of in-house working standards. | [Synthesis]
General procedure for the synthesis of 2-methyl-4-nitroimidazole from 4-iodo-2-methyl-5-nitro-1H-imidazole: (1) In a 5 mL microreaction flask, 50 mg of 4-bromo-2-methyl-5-nitroimidazole prepared in Example 1 was added, followed by the addition of 3 mL of methanol to dissolve it completely. Then, 5 mg of 10% palladium carbon (Pd/C) was added as a catalyst. The reaction flask was placed on a hydrogenation unit and high purity hydrogen was passed through, displacing it three times to ensure that the reaction system was free of oxygen. The reaction pressure was adjusted to 100 mmHg and the reaction was stirred at 25 °C for 30 h. The reaction pressure was adjusted to 100 mmHg. Upon completion of the reaction, the Pd/C catalyst was removed by centrifugation and the remaining liquid was concentrated by evaporation under reduced pressure to obtain the target product 2-methyl-5-nitroimidazole. The yield of this step was 47% by HPLC analysis. | [References]
[1] Patent: CN106674123, 2017, A. Location in patent: Paragraph 0039; 0040 |
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| Company Name: |
J & K SCIENTIFIC LTD.
|
| Telephone: |
18210857532 18210857532 |
| Website: |
https://www.jkchemical.com |
| Company Name: |
Alfa Aesar
|
| Telephone: |
400-6106006 |
| Website: |
http://chemicals.thermofisher.cn |
| Company Name: |
Energy Chemical
|
| Telephone: |
400-0056266 |
| Website: |
www.energy-chemical.com |
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