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| Name |
alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol |
EINECS | N/A |
| CAS No. | 91219-87-3 | Density | 1.3g/cm3 |
| PSA | 104.10000 | LogP | 2.93630 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C15H19N3O4 | Boiling Point | 510.4°Cat760mmHg |
| Molecular Weight | 305.37 | Flash Point | 262.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Mutation data reported. When heated to decomposition it emits toxic vapors of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
ALPHA-(3-(1,1-DIMETHYLETHYL)-2-HYDROXYPHENYL)-1-METHYL-5-NITRO-1H-IMIDAZOLE-2-METHANOL; |
alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol Chemical Properties
Empirical Formula of alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol (CAS NO.91219-87-3): C15H19N3O4
Molecular Weight: 305.3291 g/mol
Index of Refraction: 1.605
Density: 1.3 g/cm3
Flash Point: 262.5 °C
Enthalpy of Vaporization: 82.25 kJ/mol
Boiling Point: 510.4 °C at 760 mmHg
Vapour Pressure: 3.05E-11 mmHg at 25 °C
Structure of alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol (CAS NO.91219-87-3):
IUPAC Name: 2-Tert-butyl-6-[hydroxy-(1-methyl-5-nitroimidazol-2-yl)methyl]phenol
Canonical SMILES: CC(C)(C)C1=CC=CC(=C1O)C(C2=NC=C(N2C)[N+](=O)[O-])O
InChI: InChI=1S/C15H19N3O4/c1-15(2,3)10-7-5-6-9(12(10)19)13(20)14-16-8-11(17(14)4)18(21)22/h5-8,13,19-20H,1-4H3
InChIKey: MCNHVAPDUVFZDZ-UHFFFAOYSA-N
alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol Toxicity Data With Reference
| 1. | mic-sat 1 mg/plate | JCHEEU Journal of Chemotherapy. 5 (1993),168. |
alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol Safety Profile
Mutation data reported. When heated to decomposition alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol (CAS NO.91219-87-3) emits toxic vapors of NOx.
alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol Specification
alpha-(3-(1,1-Dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro-1H-imidazole-2-methanol , its cas register number is 91219-87-3. It also can be called EU 11100 ; and 1H-Imidazole-2-methanol, alpha-(3-(1,1-dimethylethyl)-2-hydroxyphenyl)-1-methyl-5-nitro- .
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