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Name 1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole
EINECSN/A
CAS No. 16156-90-4
Density2.03g/cm³
PSA63.64000
LogP2.05790
SolubilityN/A
Melting PointN/A
FormulaC6H8 I N3 O2
Boiling Point395.1°Cat760mmHg
Molecular Weight281.05
Flash Point192.8°C
Transport InformationN/A
AppearanceN/A
Safety
Risk CodesN/A
Molecular Structure
Hazard SymbolsN/A
SynonymsN/A
Article Data9

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^-24cm³
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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Product Name

1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole

1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole Chemical Properties

1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole Toxicity Data With Reference

1-(2-Iodoethyl)-2-methyl-5-nitro-1H-imidazole Specification

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