2-Methyl-4-nitroimidazol

Bezeichnung:2-Methyl-4-nitroimidazol

CAS-Nr696-23-1

Englisch Name:2-Methyl-4-nitroimidazole

CBNumberCB0259864

SummenformelC4H5N3O2

Molgewicht127.1

MOL-Datei696-23-1.mol

Synonyma

2-Methyl-4-nitroimidazol

2-Methyl-4-nitroimidazol physikalisch-chemischer Eigenschaften

Schmelzpunkt	251-255 °C(lit.)
Siedepunkt	235.85°C (rough estimate)
Dichte	1.4748 (rough estimate)
Brechungsindex	1.5000 (estimate)
Flammpunkt	195℃
storage temp.	2-8°C
Löslichkeit	DMSO (Sparingly), Methanol (Sparingly)
Aggregatzustand	powder
pka	8.87±0.10(Predicted)
Aussehen	White to off-white Solid
Wasserlöslichkeit	3.01g/L(20 ºC)
BRN	4032
Stabilität	Stable. Incompatible with strong oxidizing agents.
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 Datenbank	696-23-1(CAS DataBase Reference)
EPA chemische Informationen	1H-Imidazole, 2-methyl-4-nitro- (696-23-1)

Sicherheit

Kennzeichnung gefährlicher	Xn
R-Sätze:	68-40-22
S-Sätze:	36/37
WGK Germany	3
RTECS-Nr.	NI7550000
TSCA	TSCA listed
HS Code	2933290000
Speicherklasse	11 - Combustible Solids
Hazard Classifications	Acute Tox. 4 Oral

Gefahreninformationscode (GHS)

2-Methyl-4-nitroimidazole Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R68:Irreversibler Schaden möglich.
S-Sätze Betriebsanweisung:
S36/37:Bei der Arbeit geeignete Schutzhandschuhe und Schutzkleidung tragen.
Chemische Eigenschaften
solid
Verwenden
Floconazole impurity.
Verwenden
2-Methyl-4(5)-nitroimidazole was used to study the mechanism of both the alkaline and acidic hydrolysis of tinidazole.
Definition
ChEBI: 2-Methyl-5-nitroimidazole is a C-nitro compound and a member of imidazoles.
Allgemeine Beschreibung
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.
Synthese

13369-83-0

696-23-1

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.
Einzelnachweise
[1] Patent: CN106674123, 2017, A. Location in patent: Paragraph 0039; 0040

2-Methyl-4-nitroimidazole Upstream-Materialien And Downstream Produkte

2-Methyl-4-nitroimidazol Anbieter Lieferant Produzent Hersteller Vertrieb Händler.

696-23-1, 2-Methyl-4-nitroimidazole Verwandte Suche:

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