ChemSpider 2D Image | 5-Bromo-1-(3-bromo-4-methylbenzyl)-1H-pyrazole-4-carbonitrile | C12H9Br2N3

5-Bromo-1-(3-bromo-4-methylbenzyl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC12H9Br2N3
  • Average mass355.028 Da
  • Monoisotopic mass352.916321 Da
  • ChemSpider ID117134133

More details:

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

1H-Pyrazole-4-carbonitrile, 5-bromo-1-[(3-bromo-4-methylphenyl)methyl]- [ACD/Index Name]
5-Brom-1-(3-brom-4-methylbenzyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Bromo-1-(3-bromo-4-methylbenzyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Bromo-1-(3-bromo-4-méthylbenzyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]

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

Density: 1.7±0.1 g/cm3
Boiling Point: 491.2±45.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.2 mmHg at 25°C
Enthalpy of Vaporization: 75.8±3.0 kJ/mol
Flash Point: 250.9±28.7 °C
Index of Refraction: 1.669
Molar Refractivity: 76.6±0.5 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.81
ACD/LogD (pH 5.5): 4.05
ACD/BCF (pH 5.5): 699.06
ACD/KOC (pH 5.5): 3781.85
ACD/LogD (pH 7.4): 4.05
ACD/BCF (pH 7.4): 699.06
ACD/KOC (pH 7.4): 3781.85
Polar Surface Area: 42 Å2
Polarizability: 30.4±0.5 10-24cm3
Surface Tension: 51.0±7.0 dyne/cm
Molar Volume: 205.3±7.0 cm3

Click to predict properties on the Chemicalize site


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