ChemSpider 2D Image | 4-Bromo-3-(trifluoromethyl)benzenethiol | C7H4BrF3S

4-Bromo-3-(trifluoromethyl)benzenethiol

  • Molecular FormulaC7H4BrF3S
  • Average mass257.071 Da
  • Monoisotopic mass255.916916 Da
  • ChemSpider ID24602530

More details:

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

4-Brom-3-(trifluormethyl)benzolthiol [German] [ACD/IUPAC Name]
4-Bromo-3-(trifluoromethyl)benzenethiol [ACD/IUPAC Name]
4-Bromo-3-(trifluorométhyl)benzènethiol [French] [ACD/IUPAC Name]
Benzenethiol, 4-bromo-3-(trifluoromethyl)- [ACD/Index Name]
1208076-57-6 [RN]
4-BROMO-3-(TRIFLUOROMETHYL)BENZENE-1-THIOL
4-bromo-3-(trifluoromethyl)thiophenol
4-Bromo-3-trifluoromethylbenzenethiol
4-Bromo-3-trifluoromethyl-benzenethiol
MFCD12026129

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

Density: 1.7±0.1 g/cm3
Boiling Point: 233.4±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 45.1±3.0 kJ/mol
Flash Point: 94.9±27.3 °C
Index of Refraction: 1.533
Molar Refractivity: 47.1±0.3 cm3
#H bond acceptors: 0
#H bond donors: 0
#Freely Rotating Bonds: 1
#Rule of 5 Violations: 0
ACD/LogP: 4.39
ACD/LogD (pH 5.5): 3.50
ACD/BCF (pH 5.5): 208.58
ACD/KOC (pH 5.5): 1179.86
ACD/LogD (pH 7.4): 1.83
ACD/BCF (pH 7.4): 4.42
ACD/KOC (pH 7.4): 25.00
Polar Surface Area: 39 Å2
Polarizability: 18.7±0.5 10-24cm3
Surface Tension: 32.9±3.0 dyne/cm
Molar Volume: 151.7±3.0 cm3

Click to predict properties on the Chemicalize site


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