Introduction：Basic information about CAS 21787-91-7|2-NITRO-ALPHA-[(2,2,2-TRIFLUOROETHOXY)METHYL]-IMIDAZOLE-1-ETHANOL, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-NITRO-ALPHA-[(2,2,2-TRIFLUOROETHOXY)METHYL]-IMIDAZOLE-1-ETHANOL |
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| CAS Number | 21787-91-7 | Molecular Weight | 269.17800 |
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| Density | 1.56g/cm3 | Boiling Point | 449.1ºC at 760mmHg |
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| Molecular Formula | C8H10F3N3O4 | Melting Point | / |
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| MSDS | / | Flash Point | 225.4ºC |
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Names
| Name | 1-(2-nitroimidazol-1-yl)-3-(2,2,2-trifluoroethoxy)propan-2-ol |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.56g/cm3 |
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| Boiling Point | 449.1ºC at 760mmHg |
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| Molecular Formula | C8H10F3N3O4 |
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| Molecular Weight | 269.17800 |
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| Flash Point | 225.4ºC |
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| Exact Mass | 269.06200 |
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| PSA | 93.10000 |
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| LogP | 1.25430 |
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| Vapour Pressure | 7.48E-09mmHg at 25°C |
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| Index of Refraction | 1.516 |
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| InChIKey | MJAYBDARRXBLER-UHFFFAOYSA-N |
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| SMILES | O=[N+]([O-])c1nccn1CC(O)COCC(F)(F)F |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- NI5681500
- CHEMICAL NAME :
- Imidazole-1-ethanol, 2-nitro-alpha-((2,2,2-trifluoroethoxy)methyl)-
- CAS REGISTRY NUMBER :
- 21787-91-7
- BEILSTEIN REFERENCE NO. :
- 0543124
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H10-F3-N3-O4
- MOLECULAR WEIGHT :
- 269.21
HEALTH HAZARD DATAACUTE TOXICITY DATAMUTATION DATA - TYPE OF TEST :
- Mutation in microorganisms
- TEST SYSTEM :
- Bacteria - Salmonella typhimurium
- DOSE/DURATION :
- 100 nmol/plate
- REFERENCE :
- MUREAV Mutation Research. (Elsevier Science Pub. B.V., POB 211, 1000 AE Amsterdam, Netherlands) V.1- 1964- Volume(issue)/page/year: 58,1,1978
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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
| 1-[2-hydroxy-3-(2,2,2-trifluoroethoxy)propyl]-2-nitroimidazole |
| 1-(2-nitro-imidazol-1-yl)-3-(2,2,2-trifluoro-ethoxy)-propan-2-ol |
| 1-(2-Nitro-1-imidazoyl)-3-(2,2,2-trifluoroethoxy)-2-propanol |
| TF-MISO |
| Ro 07-2044 |
