ChemSpider 2D Image | 2-Chloro-4-(methylsulfanyl)-1-(2,2,2-trifluoroethyl)benzene | C9H8ClF3S

2-Chloro-4-(methylsulfanyl)-1-(2,2,2-trifluoroethyl)benzene

  • Molecular FormulaC9H8ClF3S
  • Average mass240.673 Da
  • Monoisotopic mass239.998734 Da
  • ChemSpider ID60837930

More details:






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

2-Chlor-4-(methylsulfanyl)-1-(2,2,2-trifluorethyl)benzol [German] [ACD/IUPAC Name]
2-Chloro-4-(methylsulfanyl)-1-(2,2,2-trifluoroethyl)benzene [ACD/IUPAC Name]
2-Chloro-4-(méthylsulfanyl)-1-(2,2,2-trifluoroéthyl)benzène [French] [ACD/IUPAC Name]
Benzene, 2-chloro-4-(methylthio)-1-(2,2,2-trifluoroethyl)- [ACD/Index Name]
1823047-37-5 [RN]
MFCD22489729

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 1.3±0.1 g/cm3
Boiling Point: 239.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 45.7±3.0 kJ/mol
Flash Point: 98.9±27.3 °C
Index of Refraction: 1.509
Molar Refractivity: 53.8±0.4 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.44
ACD/LogD (pH 5.5): 3.99
ACD/BCF (pH 5.5): 630.42
ACD/KOC (pH 5.5): 3512.17
ACD/LogD (pH 7.4): 3.99
ACD/BCF (pH 7.4): 630.42
ACD/KOC (pH 7.4): 3512.17
Polar Surface Area: 25 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 34.1±5.0 dyne/cm
Molar Volume: 180.2±5.0 cm3

Click to predict properties on the Chemicalize site






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