Product Name

  • Name

    1-(2-iodoethyl)-2-methyl-5-nitro-imidazole

  • EINECS
  • CAS No. 16156-90-4
  • Article Data9
  • CAS DataBase
  • Density 2.03g/cm3
  • Solubility
  • Melting Point
  • Formula C6H8 I N3 O2
  • Boiling Point 395.1°Cat760mmHg
  • Molecular Weight 281.05
  • Flash Point 192.8°C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 16156-90-4 (1-(2-iodoethyl)-2-methyl-5-nitro-imidazole)
  • Hazard Symbols
  • Synonyms Imidazole,1-(2-iodoethyl)-2-methyl-5-nitro- (8CI);1-(2-Iodoethyl)-2-methyl-5-nitroimidazole
  • PSA 63.64000
  • LogP 2.05790

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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