ChemSpider 2D Image | 2-Chloro-1-[(methylsulfanyl)methyl]-4-(trifluoromethyl)benzene | C9H8ClF3S

2-Chloro-1-[(methylsulfanyl)methyl]-4-(trifluoromethyl)benzene

  • Molecular FormulaC9H8ClF3S
  • Average mass240.673 Da
  • Monoisotopic mass239.998734 Da
  • ChemSpider ID60877382

More details:






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

2-Chlor-1-[(methylsulfanyl)methyl]-4-(trifluormethyl)benzol [German] [ACD/IUPAC Name]
2-Chloro-1-[(methylsulfanyl)methyl]-4-(trifluoromethyl)benzene [ACD/IUPAC Name]
2-Chloro-1-[(méthylsulfanyl)méthyl]-4-(trifluorométhyl)benzène [French] [ACD/IUPAC Name]
Benzene, 2-chloro-1-[(methylthio)methyl]-4-(trifluoromethyl)- [ACD/Index Name]
1823894-81-0 [RN]
MFCD25459744

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

Density: 1.3±0.1 g/cm3
Boiling Point: 235.2±35.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.3±3.0 kJ/mol
Flash Point: 96.0±25.9 °C
Index of Refraction: 1.503
Molar Refractivity: 53.7±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 3.92
ACD/LogD (pH 5.5): 4.32
ACD/BCF (pH 5.5): 1125.75
ACD/KOC (pH 5.5): 5318.89
ACD/LogD (pH 7.4): 4.32
ACD/BCF (pH 7.4): 1125.75
ACD/KOC (pH 7.4): 5318.89
Polar Surface Area: 25 Å2
Polarizability: 21.3±0.5 10-24cm3
Surface Tension: 30.7±3.0 dyne/cm
Molar Volume: 181.7±3.0 cm3

Click to predict properties on the Chemicalize site






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