ChemSpider 2D Image | 2,5-Bis(trifluoromethyl)benzenethiol | C8H4F6S

2,5-Bis(trifluoromethyl)benzenethiol

  • Molecular FormulaC8H4F6S
  • Average mass246.173 Da
  • Monoisotopic mass245.993790 Da
  • ChemSpider ID24602558

More details:

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

2,5-Bis(trifluormethyl)benzolthiol [German] [ACD/IUPAC Name]
2,5-Bis(trifluoromethyl)benzenethiol [ACD/IUPAC Name]
2,5-Bis(trifluorométhyl)benzènethiol [French] [ACD/IUPAC Name]
Benzenethiol, 2,5-bis(trifluoromethyl)- [ACD/Index Name]
FXFFR BSH DXFFF [WLN]
1028328-58-6 [RN]
2,5-bis(trifluoromethyl)thiophenol
MFCD12026164

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

Density: 1.5±0.1 g/cm3
Boiling Point: 192.9±40.0 °C at 760 mmHg
Vapour Pressure: 0.7±0.4 mmHg at 25°C
Enthalpy of Vaporization: 41.2±3.0 kJ/mol
Flash Point: 71.8±15.6 °C
Index of Refraction: 1.438
Molar Refractivity: 44.4±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 0
ACD/LogP: 4.99
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 175.17
ACD/KOC (pH 5.5): 842.13
ACD/LogD (pH 7.4): 1.79
ACD/BCF (pH 7.4): 3.37
ACD/KOC (pH 7.4): 16.21
Polar Surface Area: 39 Å2
Polarizability: 17.6±0.5 10-24cm3
Surface Tension: 23.0±3.0 dyne/cm
Molar Volume: 169.1±3.0 cm3

Click to predict properties on the Chemicalize site


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