ChemSpider 2D Image | [3-Formyl-2,5-bis(trifluoromethyl)phenyl]acetonitrile | C11H5F6NO

[3-Formyl-2,5-bis(trifluoromethyl)phenyl]acetonitrile

  • Molecular FormulaC11H5F6NO
  • Average mass281.154 Da
  • Monoisotopic mass281.027527 Da
  • ChemSpider ID57413193

More details:

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

[3-Formyl-2,5-bis(trifluormethyl)phenyl]acetonitril [German] [ACD/IUPAC Name]
[3-Formyl-2,5-bis(trifluoromethyl)phenyl]acetonitrile [ACD/IUPAC Name]
[3-Formyl-2,5-bis(trifluorométhyl)phényl]acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 3-formyl-2,5-bis(trifluoromethyl)- [ACD/Index Name]
1805130-40-8 [RN]
2-(3-Formyl-2,5-bis(trifluoromethyl)phenyl)acetonitrile
2,5-Bis(trifluoromethyl)-3-formylphenylacetonitrile

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

Density: 1.4±0.1 g/cm3
Boiling Point: 281.7±40.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.6 mmHg at 25°C
Enthalpy of Vaporization: 52.1±3.0 kJ/mol
Flash Point: 124.2±27.3 °C
Index of Refraction: 1.452
Molar Refractivity: 52.4±0.3 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 5
#Rule of 5 Violations: 0
ACD/LogP: 3.14
ACD/LogD (pH 5.5): 3.24
ACD/BCF (pH 5.5): 170.58
ACD/KOC (pH 5.5): 1377.91
ACD/LogD (pH 7.4): 3.24
ACD/BCF (pH 7.4): 170.58
ACD/KOC (pH 7.4): 1377.91
Polar Surface Area: 41 Å2
Polarizability: 20.8±0.5 10-24cm3
Surface Tension: 29.2±3.0 dyne/cm
Molar Volume: 194.3±3.0 cm3

Click to predict properties on the Chemicalize site


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