ChemSpider 2D Image | 4-Bromo-2-hydroxy-6-(trifluoromethyl)benzonitrile | C8H3BrF3NO

4-Bromo-2-hydroxy-6-(trifluoromethyl)benzonitrile

  • Molecular FormulaC8H3BrF3NO
  • Average mass266.015 Da
  • Monoisotopic mass264.934998 Da
  • ChemSpider ID62197730

More details:

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

4-Brom-2-hydroxy-6-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
4-Bromo-2-hydroxy-6-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
4-Bromo-2-hydroxy-6-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 4-bromo-2-hydroxy-6-(trifluoromethyl)- [ACD/Index Name]
2091471-08-6 [RN]
MFCD32662564

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

Density: 1.9±0.1 g/cm3
Boiling Point: 296.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 55.8±3.0 kJ/mol
Flash Point: 133.2±27.3 °C
Index of Refraction: 1.552
Molar Refractivity: 45.6±0.4 cm3
#H bond acceptors: 2
#H bond donors: 1
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.31
ACD/LogD (pH 5.5): 3.10
ACD/BCF (pH 5.5): 102.97
ACD/KOC (pH 5.5): 703.52
ACD/LogD (pH 7.4): 1.42
ACD/BCF (pH 7.4): 2.15
ACD/KOC (pH 7.4): 14.68
Polar Surface Area: 44 Å2
Polarizability: 18.1±0.5 10-24cm3
Surface Tension: 51.2±5.0 dyne/cm
Molar Volume: 142.5±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement