ChemSpider 2D Image | 1-(4-Bromo-2-chlorobenzyl)-1H-1,2,4-triazole | C9H7BrClN3

1-(4-Bromo-2-chlorobenzyl)-1H-1,2,4-triazole

  • Molecular FormulaC9H7BrClN3
  • Average mass272.529 Da
  • Monoisotopic mass270.951172 Da
  • ChemSpider ID30471443

More details:

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

1-(4-Brom-2-chlorbenzyl)-1H-1,2,4-triazol [German] [ACD/IUPAC Name]
1-(4-Bromo-2-chlorobenzyl)-1H-1,2,4-triazole [ACD/IUPAC Name]
1-(4-Bromo-2-chlorobenzyl)-1H-1,2,4-triazole [French] [ACD/IUPAC Name]
1H-1,2,4-Triazole, 1-[(4-bromo-2-chlorophenyl)methyl]- [ACD/Index Name]
1385414-92-5 [RN]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 408.3±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.0 mmHg at 25°C
Enthalpy of Vaporization: 66.0±3.0 kJ/mol
Flash Point: 200.7±31.5 °C
Index of Refraction: 1.676
Molar Refractivity: 61.1±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 2.43
ACD/LogD (pH 5.5): 2.90
ACD/BCF (pH 5.5): 94.51
ACD/KOC (pH 5.5): 902.58
ACD/LogD (pH 7.4): 2.90
ACD/BCF (pH 7.4): 94.65
ACD/KOC (pH 7.4): 903.88
Polar Surface Area: 31 Å2
Polarizability: 24.2±0.5 10-24cm3
Surface Tension: 52.9±7.0 dyne/cm
Molar Volume: 162.5±7.0 cm3

Click to predict properties on the Chemicalize site


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