ChemSpider 2D Image | 3-Methoxy-4-[(trifluoromethyl)sulfanyl]benzaldehyde | C9H7F3O2S

3-Methoxy-4-[(trifluoromethyl)sulfanyl]benzaldehyde

  • Molecular FormulaC9H7F3O2S
  • Average mass236.211 Da
  • Monoisotopic mass236.011887 Da
  • ChemSpider ID26053940

More details:

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

3-Methoxy-4-[(trifluormethyl)sulfanyl]benzaldehyd [German] [ACD/IUPAC Name]
3-Methoxy-4-[(trifluoromethyl)sulfanyl]benzaldehyde [ACD/IUPAC Name]
3-Méthoxy-4-[(trifluorométhyl)sulfanyl]benzaldéhyde [French] [ACD/IUPAC Name]
Benzaldehyde, 3-methoxy-4-[(trifluoromethyl)thio]- [ACD/Index Name]
1311316-18-3 [RN]
MFCD18483291 [MDL number]

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

Density: 1.4±0.1 g/cm3
Boiling Point: 228.5±40.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.5 mmHg at 25°C
Enthalpy of Vaporization: 46.5±3.0 kJ/mol
Flash Point: 92.0±27.3 °C
Index of Refraction: 1.505
Molar Refractivity: 51.1±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 4
#Rule of 5 Violations: 0
ACD/LogP: 3.32
ACD/LogD (pH 5.5): 2.87
ACD/BCF (pH 5.5): 89.98
ACD/KOC (pH 5.5): 871.77
ACD/LogD (pH 7.4): 2.87
ACD/BCF (pH 7.4): 89.98
ACD/KOC (pH 7.4): 871.77
Polar Surface Area: 52 Å2
Polarizability: 20.3±0.5 10-24cm3
Surface Tension: 37.4±5.0 dyne/cm
Molar Volume: 172.1±5.0 cm3

Click to predict properties on the Chemicalize site


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