ChemSpider 2D Image | 5-Bromo-1-methyl-1H-1,2,4-triazole-3-carbaldehyde | C4H4BrN3O

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

  • Molecular FormulaC4H4BrN3O
  • Average mass189.998 Da
  • Monoisotopic mass188.953766 Da
  • ChemSpider ID114642911

More details:

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

1H-1,2,4-Triazole-3-carboxaldehyde, 5-bromo-1-methyl- [ACD/Index Name]
5-Brom-1-methyl-1H-1,2,4-triazol-3-carbaldehyd [German] [ACD/IUPAC Name]
5-Bromo-1-methyl-1H-1,2,4-triazole-3-carbaldehyde [ACD/IUPAC Name]
5-Bromo-1-méthyl-1H-1,2,4-triazole-3-carbaldéhyde [French] [ACD/IUPAC Name]
5-bromo-1-methyl-1,2,4-triazole-3-carbaldehyde

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

Density: 2.0±0.1 g/cm3
Boiling Point: 343.6±25.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.8 mmHg at 25°C
Enthalpy of Vaporization: 58.8±3.0 kJ/mol
Flash Point: 161.6±23.2 °C
Index of Refraction: 1.678
Molar Refractivity: 36.7±0.5 cm3
#H bond acceptors: 4
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 0.56
ACD/LogD (pH 5.5): 0.35
ACD/BCF (pH 5.5): 1.08
ACD/KOC (pH 5.5): 36.81
ACD/LogD (pH 7.4): 0.35
ACD/BCF (pH 7.4): 1.08
ACD/KOC (pH 7.4): 36.81
Polar Surface Area: 48 Å2
Polarizability: 14.6±0.5 10-24cm3
Surface Tension: 58.6±7.0 dyne/cm
Molar Volume: 97.4±7.0 cm3

Click to predict properties on the Chemicalize site


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