ChemSpider 2D Image | 2-(4-Bromophenyl)-4,4,4-trifluoro-3-oxobutanenitrile | C10H5BrF3NO

2-(4-Bromophenyl)-4,4,4-trifluoro-3-oxobutanenitrile

  • Molecular FormulaC10H5BrF3NO
  • Average mass292.052 Da
  • Monoisotopic mass290.950653 Da
  • ChemSpider ID26546650

More details:

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

2-(4-Bromophenyl)-4,4,4-trifluoro-3-oxobutanenitrile [ACD/IUPAC Name]
2-(4-Bromophényl)-4,4,4-trifluoro-3-oxobutanenitrile [French] [ACD/IUPAC Name]
2-(4-Bromphenyl)-4,4,4-trifluor-3-oxobutannitril [German] [ACD/IUPAC Name]
Benzeneacetonitrile, 4-bromo-α-(2,2,2-trifluoroacetyl)- [ACD/Index Name]
[954238-43-8] [RN]
2-(4-Bromophenyl)-4,4,4-trifluoro-3-oxobutyronitrile
2-(4-Bromo-phenyl)-4,4,4-trifluoro-3-oxo-butyronitrile
954238-43-8 [RN]
MFCD09878886 [MDL number]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 287.4±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.7±3.0 kJ/mol
Flash Point: 127.6±25.9 °C
Index of Refraction: 1.505
Molar Refractivity: 53.2±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 4.25
ACD/LogD (pH 5.5):
ACD/BCF (pH 5.5):
ACD/KOC (pH 5.5):
ACD/LogD (pH 7.4):
ACD/BCF (pH 7.4):
ACD/KOC (pH 7.4):
Polar Surface Area: 41 Å2
Polarizability: 21.1±0.5 10-24cm3
Surface Tension: 39.7±3.0 dyne/cm
Molar Volume: 179.1±3.0 cm3

Click to predict properties on the Chemicalize site


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