ChemSpider 2D Image | 4,5-Dibromo-1H-pyrazole-3-carbaldehyde | C4H2Br2N2O

4,5-Dibromo-1H-pyrazole-3-carbaldehyde

  • Molecular FormulaC4H2Br2N2O
  • Average mass253.880 Da
  • Monoisotopic mass251.853378 Da
  • ChemSpider ID38774644

More details:

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

1H-Pyrazole-3-carboxaldehyde, 4,5-dibromo- [ACD/Index Name]
4,5-Dibrom-1H-pyrazol-3-carbaldehyd [German] [ACD/IUPAC Name]
4,5-Dibromo-1H-pyrazole-3-carbaldehyde [ACD/IUPAC Name]
4,5-Dibromo-1H-pyrazole-3-carbaldéhyde [French] [ACD/IUPAC Name]
1934271-86-9 [RN]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 393.9±37.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.9 mmHg at 25°C
Enthalpy of Vaporization: 64.4±3.0 kJ/mol
Flash Point: 192.0±26.5 °C
Index of Refraction: 1.707
Molar Refractivity: 40.9±0.3 cm3
#H bond acceptors: 3
#H bond donors: 1
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 1.74
ACD/LogD (pH 5.5): 1.80
ACD/BCF (pH 5.5): 13.53
ACD/KOC (pH 5.5): 221.49
ACD/LogD (pH 7.4): 1.13
ACD/BCF (pH 7.4): 2.93
ACD/KOC (pH 7.4): 47.90
Polar Surface Area: 46 Å2
Polarizability: 16.2±0.5 10-24cm3
Surface Tension: 73.1±3.0 dyne/cm
Molar Volume: 105.0±3.0 cm3

Click to predict properties on the Chemicalize site


Advertisement