ChemSpider 2D Image | 1-[3,5-Bis(trifluoromethyl)phenyl]-3-bromoacetone | C11H7BrF6O

1-[3,5-Bis(trifluoromethyl)phenyl]-3-bromoacetone

  • Molecular FormulaC11H7BrF6O
  • Average mass349.067 Da
  • Monoisotopic mass347.958435 Da
  • ChemSpider ID26286023

More details:

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

1-(3,5-bis(trifluoromethyl)phenyl)-3-bromopropan-2-one
1-[3,5-Bis(trifluormethyl)phenyl]-3-bromaceton [German] [ACD/IUPAC Name]
1-[3,5-Bis(trifluoromethyl)phenyl]-3-bromoacetone [ACD/IUPAC Name]
1-[3,5-Bis(trifluorométhyl)phényl]-3-bromoacétone [French] [ACD/IUPAC Name]
2-Propanone, 1-[3,5-bis(trifluoromethyl)phenyl]-3-bromo- [ACD/Index Name]
1454262-40-8 [RN]

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

Density: 1.6±0.1 g/cm3
Boiling Point: 252.5±35.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 49.0±3.0 kJ/mol
Flash Point: 106.5±25.9 °C
Index of Refraction: 1.451
Molar Refractivity: 58.2±0.3 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.68
ACD/LogD (pH 5.5): 3.73
ACD/BCF (pH 5.5): 405.22
ACD/KOC (pH 5.5): 2559.69
ACD/LogD (pH 7.4): 3.73
ACD/BCF (pH 7.4): 405.22
ACD/KOC (pH 7.4): 2559.69
Polar Surface Area: 17 Å2
Polarizability: 23.1±0.5 10-24cm3
Surface Tension: 27.6±3.0 dyne/cm
Molar Volume: 216.1±3.0 cm3

Click to predict properties on the Chemicalize site


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