Introduction：Basic information about CAS 16773-52-7|1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole |
|---|
| CAS Number | 16773-52-7 | Molecular Weight | 183.16500 |
|---|
| Density | 1.59g/cm3 | Boiling Point | 395.5ºC at 760mmHg |
|---|
| Molecular Formula | C7H9N3O3 | Melting Point | 111-112 ºC (ethyl acetate ) |
|---|
| MSDS | / | Flash Point | 193ºC |
|---|
Names
| Name | 2-methyl-5-nitro-1-(oxiran-2-ylmethyl)imidazole |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.59g/cm3 |
|---|
| Boiling Point | 395.5ºC at 760mmHg |
|---|
| Melting Point | 111-112 ºC (ethyl acetate ) |
|---|
| Molecular Formula | C7H9N3O3 |
|---|
| Molecular Weight | 183.16500 |
|---|
| Flash Point | 193ºC |
|---|
| Exact Mass | 183.06400 |
|---|
| PSA | 76.17000 |
|---|
| LogP | 1.02170 |
|---|
| Vapour Pressure | 4.18E-06mmHg at 25°C |
|---|
| Index of Refraction | 1.684 |
|---|
| InChIKey | NLXRQOREXATYEE-UHFFFAOYSA-N |
|---|
| SMILES | Cc1ncc([N+](=O)[O-])n1CC1CO1 |
|---|
| Storage condition | 2-8°C |
|---|
| Water Solubility | Slightly soluble (3.3 g/L) (25 ºC) |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NI5300000
- CHEMICAL NAME :
- Imidazole, 1-(2,3-epoxypropyl)-2-methyl-5-nitro-
- CAS REGISTRY NUMBER :
- 16773-52-7
- BEILSTEIN REFERENCE NO. :
- 0613771
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C7-H9-N3-O3
- MOLECULAR WEIGHT :
- 183.19
- WISWESSER LINE NOTATION :
- T5N CNJ B1 ENW A1- BT3OTJ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1414 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 17,1019,1974
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 17,1019,1974
|
Synonyms
| Imidazole,1-(2,3-epoxypropyl)-2-methyl-5-nitro |
| 3-(2-methyl-5-nitro-1H-imidazolyl)-1,2-epoxypropane |
| 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole |
| 2-methyl-5-nitro-1-oxiranylmethyl-1H-imidazole |
| 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazol |
| 2-Methyl-5-nitro-1-(2-oxiranylmethyl)-1H-imidazole |
| Ornidazole Impurity 1 |
