Introduction:Basic information about CAS 13551-89-8|1H-Imidazole-1-ethanol,a-(fluoromethyl)-2-nitro-, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 1H-Imidazole-1-ethanol,a-(fluoromethyl)-2-nitro- |
|---|
| CAS Number | 13551-89-8 | Molecular Weight | 189.14400 |
|---|
| Density | 1.55 g/cm3 | Boiling Point | 433.3ºC at 760 mmHg |
|---|
| Molecular Formula | C6H8FN3O3 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 215.8ºC |
|---|
Names
| Name | 1-fluoro-3-(2-nitroimidazol-1-yl)propan-2-ol |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.55 g/cm3 |
|---|
| Boiling Point | 433.3ºC at 760 mmHg |
|---|
| Molecular Formula | C6H8FN3O3 |
|---|
| Molecular Weight | 189.14400 |
|---|
| Flash Point | 215.8ºC |
|---|
| Exact Mass | 189.05500 |
|---|
| PSA | 83.87000 |
|---|
| LogP | 0.64490 |
|---|
| Vapour Pressure | 2.82E-08mmHg at 25°C |
|---|
| Index of Refraction | 1.589 |
|---|
| InChIKey | HIIJZYSUEJYLMX-UHFFFAOYSA-N |
|---|
| SMILES | O=[N+]([O-])c1nccn1CC(O)CF |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NI5566000
- CHEMICAL NAME :
- Imidazole-1-ethanol, alpha-(fluoromethyl)-2-nitro-
- CAS REGISTRY NUMBER :
- 13551-89-8
- BEILSTEIN REFERENCE NO. :
- 0522249
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C6-H8-F-N3-O3
- MOLECULAR WEIGHT :
- 189.17
- WISWESSER LINE NOTATION :
- T5N CNJ A1YQ1F BNW
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 620 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 :
- 900 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
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
|
Safety Information
Customs
| HS Code | 2933290090 |
|---|
| 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% |
|---|
Synonyms
| Fluoromisonidazole |
| 1-(2-Hydroxy-3-fluoropropyl)-2-nitroimidazole |
| 1-(2-Nitro-1-imidazolyl)-3-fluoro-2-propanol |
| Ro-07-0741 |
| 1-fluoro-3-(2-nitro-imidazol-1-yl)-propan-2-ol |
| SR 1367 |
| SR 1369 |
| KU 2210 |
| 1-(3-fluoro-2-hydroxypropyl)-2-nitroimidazole |