ChemSpider 2D Image | Fluoro(phenylsulfanyl)acetonitrile | C8H6FNS

Fluoro(phenylsulfanyl)acetonitrile

  • Molecular FormulaC8H6FNS
  • Average mass167.203 Da
  • Monoisotopic mass167.020493 Da
  • ChemSpider ID21410278

More details:

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

130612-84-9 [RN]
2-FLUORO-2-(PHENYLSULFANYL)ACETONITRILE
Acetonitrile, 2-fluoro-2-(phenylthio)- [ACD/Index Name]
Fluor(phenylsulfanyl)acetonitril [German] [ACD/IUPAC Name]
Fluoro(phenylsulfanyl)acetonitrile [ACD/IUPAC Name]
Fluoro(phénylsulfanyl)acétonitrile [French] [ACD/IUPAC Name]
[130612-84-9] [RN]
2-Fluoro-2-(phenylthio)acetonitrile
2-fluoro-2-phenylsulfanylacetonitrile
97%
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Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.2±0.1 g/cm3
Boiling Point: 223.1±30.0 °C at 760 mmHg
Vapour Pressure: 0.1±0.4 mmHg at 25°C
Enthalpy of Vaporization: 46.0±3.0 kJ/mol
Flash Point: 88.8±24.6 °C
Index of Refraction: 1.558
Molar Refractivity: 44.1±0.4 cm3
#H bond acceptors: 1
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.23
ACD/LogD (pH 5.5): 2.30
ACD/BCF (pH 5.5): 33.01
ACD/KOC (pH 5.5): 425.24
ACD/LogD (pH 7.4): 2.30
ACD/BCF (pH 7.4): 33.01
ACD/KOC (pH 7.4): 425.24
Polar Surface Area: 49 Å2
Polarizability: 17.5±0.5 10-24cm3
Surface Tension: 44.3±5.0 dyne/cm
Molar Volume: 136.7±5.0 cm3

Click to predict properties on the Chemicalize site


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