Introduction：Basic information about CAS 5213-49-0|2,4-Dinitro-1H-imidazole, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2,4-Dinitro-1H-imidazole |
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| CAS Number | 5213-49-0 | Molecular Weight | 158.07200 |
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| Density | 1.867g/cm3 | Boiling Point | 503.1ºC at 760 mmHg |
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| Molecular Formula | C3H2N4O4 | Melting Point | 263 - 265°C |
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| MSDS | / | Flash Point | 258.1ºC |
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Names
| Name | 2,5-Dinitro-1H-imidazole |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.867g/cm3 |
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| Boiling Point | 503.1ºC at 760 mmHg |
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| Melting Point | 263 - 265°C |
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| Molecular Formula | C3H2N4O4 |
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| Molecular Weight | 158.07200 |
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| Flash Point | 258.1ºC |
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| Exact Mass | 158.00800 |
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| PSA | 120.32000 |
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| LogP | 1.27250 |
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| Index of Refraction | 1.676 |
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| InChIKey | FLDSOXFRYVOGFK-UHFFFAOYSA-N |
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| SMILES | O=[N+]([O-])c1cnc([N+](=O)[O-])[nH]1 |
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| Storage condition | 20°C |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NI5200000
- CHEMICAL NAME :
- Imidazole, 2,4-dinitro-
- CAS REGISTRY NUMBER :
- 5213-49-0
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C3-H2-N4-O4
- MOLECULAR WEIGHT :
- 158.09
- WISWESSER LINE NOTATION :
- T5M CNJ BNW DNW
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 860 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- RPOBAR Research Progress in Organic-Biological and Medicinal Chemistry. (New York, NY) V.1-3, 1964-72. Discontinued. Volume(issue)/page/year: 2,287,1970
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 465 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- RPOBAR Research Progress in Organic-Biological and Medicinal Chemistry. (New York, NY) V.1-3, 1964-72. Discontinued. Volume(issue)/page/year: 2,287,1970
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Safety Information
Synonyms
| Imidazole,2,4-dinitro |
| Imidazole,2,5-dinitro |
| KA 121 |
| 2,4-dinitro-1(3)H-imidazole |
| 2,4-DINITRO-1H-IMIDAZOLE |
| 2,5-Dinitroimidazole |
| 2,4-Dinitroimidazole |
