ChemSpider 2D Image | 4-Chloro-5-[(1E)-3,3-dimethyl-1-triazen-1-yl]-1H-imidazole | C5H8ClN5

4-Chloro-5-[(1E)-3,3-dimethyl-1-triazen-1-yl]-1H-imidazole

  • Molecular FormulaC5H8ClN5
  • Average mass173.604 Da
  • Monoisotopic mass173.046829 Da
  • ChemSpider ID29778108
  • Double-bond stereo - Double-bond stereo


More details:






Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1H-Imidazole, 4-chloro-5-[(1E)-3,3-dimethyl-1-triazen-1-yl]- [ACD/Index Name]
4-Chlor-5-[(1E)-3,3-dimethyl-1-triazen-1-yl]-1H-imidazol [German] [ACD/IUPAC Name]
4-Chloro-5-[(1E)-3,3-dimethyl-1-triazen-1-yl]-1H-imidazole [ACD/IUPAC Name]
4-Chloro-5-[(1E)-3,3-diméthyl-1-triazén-1-yl]-1H-imidazole [French] [ACD/IUPAC Name]
(E)-4-chloro-5-(3,3-dimethyltriaz-1-en-1-yl)-1H-imidazole
252552-02-6 [RN]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.4±0.1 g/cm3
Boiling Point: 355.2±52.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 60.0±3.0 kJ/mol
Flash Point: 168.6±30.7 °C
Index of Refraction: 1.633
Molar Refractivity: 43.4±0.5 cm3
#H bond acceptors: 5
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 0.49
ACD/LogD (pH 5.5): 0.78
ACD/BCF (pH 5.5): 2.24
ACD/KOC (pH 5.5): 59.93
ACD/LogD (pH 7.4): 0.83
ACD/BCF (pH 7.4): 2.54
ACD/KOC (pH 7.4): 67.70
Polar Surface Area: 57 Å2
Polarizability: 17.2±0.5 10-24cm3
Surface Tension: 47.6±7.0 dyne/cm
Molar Volume: 121.6±7.0 cm3

Click to predict properties on the Chemicalize site






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