ChemSpider 2D Image | 4-Bromo-3,5-diethyl-1-methyl-1H-pyrazole | C8H13BrN2

4-Bromo-3,5-diethyl-1-methyl-1H-pyrazole

  • Molecular FormulaC8H13BrN2
  • Average mass217.106 Da
  • Monoisotopic mass216.026199 Da
  • ChemSpider ID40898278

More details:

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

1H-Pyrazole, 4-bromo-3,5-diethyl-1-methyl- [ACD/Index Name]
4-Brom-3,5-diethyl-1-methyl-1H-pyrazol [German] [ACD/IUPAC Name]
4-Bromo-3,5-diethyl-1-methyl-1H-pyrazole [ACD/IUPAC Name]
4-Bromo-3,5-diéthyl-1-méthyl-1H-pyrazole [French] [ACD/IUPAC Name]
1545093-80-8 [RN]
MFCD24286785

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.4±0.1 g/cm3
Boiling Point: 266.8±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 48.4±3.0 kJ/mol
Flash Point: 115.2±25.9 °C
Index of Refraction: 1.556
Molar Refractivity: 50.9±0.5 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 3.27
ACD/LogD (pH 5.5): 2.97
ACD/BCF (pH 5.5): 105.77
ACD/KOC (pH 5.5): 978.69
ACD/LogD (pH 7.4): 2.97
ACD/BCF (pH 7.4): 105.78
ACD/KOC (pH 7.4): 978.73
Polar Surface Area: 18 Å2
Polarizability: 20.2±0.5 10-24cm3
Surface Tension: 34.5±7.0 dyne/cm
Molar Volume: 158.2±7.0 cm3

Click to predict properties on the Chemicalize site


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