Introduction:Basic information about CAS 13551-92-3|1,2-Propanediol,3-(2-nitro-1H-imidazol-1-yl)-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1,2-Propanediol,3-(2-nitro-1H-imidazol-1-yl)- |
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| CAS Number | 13551-92-3 | Molecular Weight | 187.15300 |
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| Density | 1.61g/cm3 | Boiling Point | 521.5ºC at 760mmHg |
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| Molecular Formula | C6H9N3O4 | Melting Point | / |
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| MSDS | / | Flash Point | 269.2ºC |
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Names
| Name | 3-(2-nitroimidazol-1-yl)propane-1,2-diol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.61g/cm3 |
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| Boiling Point | 521.5ºC at 760mmHg |
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| Molecular Formula | C6H9N3O4 |
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| Molecular Weight | 187.15300 |
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| Flash Point | 269.2ºC |
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| Exact Mass | 187.05900 |
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| PSA | 104.10000 |
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| Vapour Pressure | 1.05E-11mmHg at 25°C |
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| Index of Refraction | 1.643 |
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| InChIKey | NUGLIYXAARVRPQ-UHFFFAOYSA-N |
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| SMILES | O=[N+]([O-])c1nccn1CC(O)CO |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- TZ0818000
- CHEMICAL NAME :
- 1,2-Propanediol, 3-(2-nitroimidazol-1-yl)-
- CAS REGISTRY NUMBER :
- 13551-92-3
- BEILSTEIN REFERENCE NO. :
- 0613156
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 10
- MOLECULAR FORMULA :
- C6-H9-N3-O4
- MOLECULAR WEIGHT :
- 187.18
- WISWESSER LINE NOTATION :
- T5N CNJ A1YQ1Q BNW
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 5076 mg/kg
- TOXIC EFFECTS :
- Behavioral - somnolence (general depressed activity) Lungs, Thorax, or Respiration - dyspnea Skin and Appendages - hair
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 2532 mg/kg
- TOXIC EFFECTS :
- Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - respiratory stimulation Gastrointestinal - contraction (isolated tissue)
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 2730 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 3100 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 1800 mg/kg
- TOXIC EFFECTS :
- Behavioral - food intake (animal) Gastrointestinal - nausea or vomiting
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 9020 mg/kg/20D-I
- TOXIC EFFECTS :
- Brain and Coverings - other degenerative changes Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 3340 mg/kg/20D-I
- TOXIC EFFECTS :
- Behavioral - ataxia Blood - other changes Nutritional and Gross Metabolic - weight loss or decreased weight gain
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Mammal - dog
- DOSE/DURATION :
- 2250 mg/kg/20D-I
- TOXIC EFFECTS :
- Brain and Coverings - other degenerative changes Behavioral - ataxia Nutritional and Gross Metabolic - weight loss or decreased weight gain
MUTATION DATA - TYPE OF TEST :
- Morphological transformation
- TEST SYSTEM :
- Rodent - mouse Embryo
- DOSE/DURATION :
- 1 mmol/L/3D (Continuous)
- REFERENCE :
- 45OJAG "Radiation Sensitizers: Their Use in the Clinical Management of Cancer, Proceedings of the Conference, Key Biscayne, FL, 1979," Brady, L.W., ed., New York, Masson Pub. USA, Inc., 1980 Volume(issue)/page/year: -,146,1980
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Safety Information
Customs
| HS Code | 2933290090 |
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| Summary | 2933290090. other compounds containing an unfused imidazole ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
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Synonyms
| 2-Hydroxy-3-(2-nitro-1-imidazolyl)-propanol |
| Desmethylmisonidazole |
| EINECS 236-932-1 |
| 3-(2-Nitro-1H-imidazol-1-yl)propane-1,2-diol |
| 1-(2-nitro-1-imidazolyl)-3-hydroxypropanol |
| Ro 5-9963 |
| O-Desmethyl-misonidazole |
| 3-(2-nitro-imidazol-1-yl)-propane-1,2-diol |
| 3-(2-Nitro-I-imidazolyl)-1,2-propanediol |
| 1-(2,3-dihydroxypropyl)-2-nitroimidazole |
| Demethylmisonidazole |