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

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

  • Molecular FormulaC9H8ClF3S
  • Average mass240.673 Da
  • Monoisotopic mass239.998734 Da
  • ChemSpider ID60837937

More details:






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

2-Chlor-1-(methylsulfanyl)-4-(2,2,2-trifluorethyl)benzol [German] [ACD/IUPAC Name]
2-Chloro-1-(methylsulfanyl)-4-(2,2,2-trifluoroethyl)benzene [ACD/IUPAC Name]
2-Chloro-1-(méthylsulfanyl)-4-(2,2,2-trifluoroéthyl)benzène [French] [ACD/IUPAC Name]
Benzene, 2-chloro-1-(methylthio)-4-(2,2,2-trifluoroethyl)- [ACD/Index Name]
1822987-82-5 [RN]
MFCD22489745

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

Density: 1.3±0.1 g/cm3
Boiling Point: 231.8±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 44.9±3.0 kJ/mol
Flash Point: 94.0±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: 3.62
ACD/LogD (pH 5.5): 4.14
ACD/BCF (pH 5.5): 821.71
ACD/KOC (pH 5.5): 4245.78
ACD/LogD (pH 7.4): 4.14
ACD/BCF (pH 7.4): 821.71
ACD/KOC (pH 7.4): 4245.78
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

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