Product Name

  • Name

    1-BENZYL-5-NITROIMIDAZOLE

  • EINECS
  • CAS No. 159790-78-0
  • Article Data2
  • CAS DataBase
  • Density 1.29g/cm3
  • Solubility
  • Melting Point
  • Formula C10H9N3O2
  • Boiling Point 403.2°Cat760mmHg
  • Molecular Weight 203.2
  • Flash Point 197.7°C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 159790-78-0 (1-BENZYL-5-NITROIMIDAZOLE)
  • Hazard Symbols
  • Synonyms 1H-Imidazole,5-nitro-1-(phenylmethyl)-;
  • PSA 63.64000
  • LogP 2.36280

1-benzyl-5-nitro-1H-imidazole Chemical Properties

Product Name: 1-benzyl-5-nitro-1H-imidazole 
Synonyms of 1-benzyl-5-nitro-1H-imidazole (CAS NO.159790-78-0): 1H-Imidazole,5-nitro-1-(phenylmethyl)-
CAS NO: 159790-78-0
Molecular Formula of 1-benzyl-5-nitro-1H-imidazole (CAS NO.159790-78-0): C10H9N3O2
Molecular Weight: 203.1974
Molecular Structure:

H bond acceptors: 5
Freely Rotating Bonds: 3
Polar Surface Area: 63.64 Å2
Index of Refraction: 1.633
Molar Refractivity: 56.201 cm3
Molar Volume: 157.43 cm3
Surface Tension: 55.757 dyne/cm
Density of 1-benzyl-5-nitro-1H-imidazole (CAS NO.159790-78-0): 1.291 g/cm3
Flash Point: 197.663 °C
Enthalpy of Vaporization: 62.9 kJ/mol
Boiling Point: 403.224 °C at 760 mmHg 
SMILES: [O-][N+](=O)c1cncn1Cc2ccccc2 
InChI: InChI=1/C10H9N3O2/c14-13(15)10-6-11-8-12(10)7-9-4-2-1-3-5-9/h1-6,8H,7H2 
InChIKey: ORVKJGIRFOONOE-UHFFFAOYAB
Std. InChI: InChI=1S/C10H9N3O2/c14-13(15)10-6-11-8-12(10)7-9-4-2-1-3-5-9/h1-6,8H,7H2 
Std. InChIKey: ORVKJGIRFOONOE-UHFFFAOYSA-N

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