ChemSpider 2D Image | 2-(Bromomethyl)-3-(trifluoromethyl)benzonitrile | C9H5BrF3N

2-(Bromomethyl)-3-(trifluoromethyl)benzonitrile

  • Molecular FormulaC9H5BrF3N
  • Average mass264.042 Da
  • Monoisotopic mass262.955750 Da
  • ChemSpider ID57392419

More details:

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

2-(Brommethyl)-3-(trifluormethyl)benzonitril [German] [ACD/IUPAC Name]
2-(Bromomethyl)-3-(trifluoromethyl)benzonitrile [ACD/IUPAC Name]
2-(Bromométhyl)-3-(trifluorométhyl)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 2-(bromomethyl)-3-(trifluoromethyl)- [ACD/Index Name]
1803781-90-9 [RN]
MFCD28782759

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

Density: 1.6±0.1 g/cm3
Boiling Point: 253.9±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.1±3.0 kJ/mol
Flash Point: 107.3±25.9 °C
Index of Refraction: 1.513
Molar Refractivity: 48.7±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.26
ACD/LogD (pH 5.5): 3.36
ACD/BCF (pH 5.5): 210.92
ACD/KOC (pH 5.5): 1604.00
ACD/LogD (pH 7.4): 3.36
ACD/BCF (pH 7.4): 210.92
ACD/KOC (pH 7.4): 1604.00
Polar Surface Area: 24 Å2
Polarizability: 19.3±0.5 10-24cm3
Surface Tension: 39.7±5.0 dyne/cm
Molar Volume: 161.8±5.0 cm3

Click to predict properties on the Chemicalize site


Advertisement