ChemSpider 2D Image | 4-[(Trifluoromethyl)sulfanyl]biphenyl | C13H9F3S

4-[(Trifluoromethyl)sulfanyl]biphenyl

  • Molecular FormulaC13H9F3S
  • Average mass254.271 Da
  • Monoisotopic mass254.037704 Da
  • ChemSpider ID13786549

More details:

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

1,1'-Biphenyl, 4-[(trifluoromethyl)thio]- [ACD/Index Name]
4-[(Trifluormethyl)sulfanyl]biphenyl [German] [ACD/IUPAC Name]
4-[(Trifluoromethyl)sulfanyl]biphenyl [ACD/IUPAC Name]
4-[(Trifluorométhyl)sulfanyl]biphényle [French] [ACD/IUPAC Name]
Biphenyl-4-yl trifluoromethyl sulfide
[1,1'-Biphenyl]-4-yl(trifluoromethyl)sulfane
1,1'-BIPHENYL,4-[(TRIFLUOROMETHYL)THIO]-
177551-63-2 [RN]
1-PHENYL-4-[(TRIFLUOROMETHYL)SULFANYL]BENZENE
373-80-8 [RN]
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.3±0.1 g/cm3
Boiling Point: 257.0±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.5 mmHg at 25°C
Enthalpy of Vaporization: 47.5±3.0 kJ/mol
Flash Point: 109.2±27.3 °C
Index of Refraction: 1.570
Molar Refractivity: 64.5±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 1
ACD/LogP: 5.33
ACD/LogD (pH 5.5): 5.01
ACD/BCF (pH 5.5): 3793.30
ACD/KOC (pH 5.5): 12689.79
ACD/LogD (pH 7.4): 5.01
ACD/BCF (pH 7.4): 3793.30
ACD/KOC (pH 7.4): 12689.79
Polar Surface Area: 25 Å2
Polarizability: 25.6±0.5 10-24cm3
Surface Tension: 39.4±5.0 dyne/cm
Molar Volume: 196.4±5.0 cm3

Click to predict properties on the Chemicalize site


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