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Cas Database |
| Name |
Desmethylmisonidazole |
EINECS | N/A |
| CAS No. | 13551-92-3 | Density | 1.61g/cm3 |
| PSA | 104.10000 | LogP | -0.33230 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H9 N3 O4 | Boiling Point | 521.5°Cat760mmHg |
| Molecular Weight | 187.155 | Flash Point | 269.2°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Moderately toxic by intravenous and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,2-Propanediol,3-(2-nitroimidazol-1-yl)- (8CI); 3-(2-Nitroimidazol-1-yl)-1,2-propanediol;Demethylmisonidazole; Desmethylmisonidazole; NSC 261036; Ro 5-9963; SR 1530; SR1530 (imidazole) |
Article Data | 8 |
Desmethylmisonidazole Chemical Properties
Empirical Formula of Desmethylmisonidazole (CAS NO.13551-92-3): C6H9N3O4
Molecular Weight: 187.1534 g/mol
EINECS: 236-932-1
Index of Refraction: 1.643
Density: 1.61 g/cm3
Flash Point: 269.2 °C
Enthalpy of Vaporization: 83.67 kJ/mol
Boiling Point: 521.5 °C at 760 mmHg
Vapour Pressure: 1.05E-11 mmHg at 25 °C
Structure of Desmethylmisonidazole (CAS NO.13551-92-3):
IUPAC Name: 3-(2-Nitroimidazol-1-yl)propane-1,2-diol
Canonical SMILES: C1=CN(C(=N1)[N+](=O)[O-])CC(CO)O
InChI: InChI=1S/C6H9N3O4/c10-4-5(11)3-8-2-1-7-6(8)9(12)13/h1-2,5,10-11H,3-4H2
InChIKey: NUGLIYXAARVRPQ-UHFFFAOYSA-N
Desmethylmisonidazole Toxicity Data With Reference
| 1. | mmo-klp 20 µmol/L/20H | MUREAV Mutation Research. 66 (1979),207. | ||
| 2. | otr-mus:emb 1 mmol/L/3D-C | 45OJAG Radiation Sensitizers: Their Use in the Clinical Management of Cancer Brady, L.W., ed.,New York, NY.: Masson Publishing USA, Inc.,1980,146. | ||
| 3. | orl-rat LD50:5076 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. PB81-121212 . | ||
| 4. | ivn-rat LD50:2532 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. PB81-121212 . | ||
| 5. | ipr-mus LD50:2730 mg/kg | RAREAE Radiation Research. 91 (1982),186. | ||
| 6. | ivn-dog LDLo:1800 mg/kg | NTIS** National Technical Information Service. (Springfield, VA 22161) (Formerly U.S. Clearinghouse for Scientific and Technical Information) No. PB81-121204 . |
Desmethylmisonidazole Safety Profile
Moderately toxic by intravenous and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Desmethylmisonidazole Specification
Desmethylmisonidazole (CAS NO.13551-92-3) also can be called Demethylmisonidazole ; 1,2-Propanediol, 3-(2-nitro-1H-imidazol-1-yl)-, (9CI) ; and 3-(2-Nitroimidazol-1-yl)-1,2-propanediol .
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