Found 6 results

Search term: MF = 'C_{2}H_{2}BrN_{3}'
ChemSpider 2D Image | 5-Bromo-3H-1,2,4-triazole | C2H2BrN3

5-Bromo-3H-1,2,4-triazole

  • Molecular FormulaC2H2BrN3
  • Average mass147.961 Da
  • Monoisotopic mass146.943207 Da
  • ChemSpider ID113460046

More details:

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

3H-1,2,4-Triazole, 5-bromo- [ACD/Index Name]
5-Brom-3H-1,2,4-triazol [German] [ACD/IUPAC Name]
5-Bromo-3H-1,2,4-triazole [ACD/IUPAC Name]
5-Bromo-3H-1,2,4-triazole [French] [ACD/IUPAC Name]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 137.9±23.0 °C at 760 mmHg
Vapour Pressure: 8.5±0.2 mmHg at 25°C
Enthalpy of Vaporization: 36.0±3.0 kJ/mol
Flash Point: 37.2±22.6 °C
Index of Refraction: 1.772
Molar Refractivity: 25.9±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 0
ACD/LogP: 0.32
ACD/LogD (pH 5.5): 0.97
ACD/BCF (pH 5.5): 3.22
ACD/KOC (pH 5.5): 80.42
ACD/LogD (pH 7.4): 0.97
ACD/BCF (pH 7.4): 3.23
ACD/KOC (pH 7.4): 80.50
Polar Surface Area: 37 Å2
Polarizability: 10.3±0.5 10-24cm3
Surface Tension: 69.2±7.0 dyne/cm
Molar Volume: 62.3±7.0 cm3

Click to predict properties on the Chemicalize site


Advertisement