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Cas Database |
| Name |
1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole |
EINECS | N/A |
| CAS No. | 16156-90-4 | Density | 2.03g/cm3 |
| PSA | 63.64000 | LogP | 2.05790 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C6H8 I N3 O2 | Boiling Point | 395.1°Cat760mmHg |
| Molecular Weight | 281.05 | Flash Point | 192.8°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Imidazole,1-(2-iodoethyl)-2-methyl-5-nitro- (8CI);1-(2-Iodoethyl)-2-methyl-5-nitroimidazole |
Article Data | 9 |
1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole Chemical Properties
Molecule structure of 1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole (CAS NO.16156-90-4):
IUPAC Name: 1-(2-Iodoethyl)-2-methyl-5-nitroimidazole
Molecular Weight: 281.05109 [g/mol]
Molecular Formula: C6H8IN3O2
Index of Refraction: 1.689
Molar Refractivity: 52.78 cm3
Molar Volume: 138.2 cm3
Polarizability: 20.92×10-24 cm3
Surface Tension: 60.7 dyne/cm
Density: 2.03 g/cm3
Flash Point: 192.8 °C
Enthalpy of Vaporization: 62 kJ/mol
Boiling Point: 395.1 °C at 760 mmHg
Vapour Pressure: 4.29E-06 mmHg at 25 °C
XLogP3: 0.4
H-Bond Acceptor: 3
Rotatable Bond Count: 2
Exact Mass: 280.96612
MonoIsotopic Mass: 280.96612
Topological Polar Surface Area: 61
Heavy Atom Count: 12
Complexity: 173
Covalently-Bonded Unit Count: 1
Canonical SMILES: CC1=NC=C(N1CCI)[N+](=O)[O-]
InChI: InChI=1S/C6H8IN3O2/c1-5-8-4-6(10(11)12)9(5)3-2-7/h4H,2-3H2,1H3
InChIKey of 1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole (CAS NO.16156-90-4): ROXLQGHOPINWFU-UHFFFAOYSA-N
1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | oral | 320mg/kg (320mg/kg) | Journal of Medicinal Chemistry. Vol. 11, Pg. 167, 1968. |
1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole Specification
1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole (CAS NO.16156-90-4) is also named as 1-(2-Iodoethyl)-2-methyl-5-nitroimidazole ; Imidazole, 1-(2-Iodoethyl)-2-methyl-5-nitro- .
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