Found 3172 results

Search term: MF = 'C_{12}H_{12}F_{3}NO_{2}'
ChemSpider 2D Image | 3-Ethoxy-4-(2,2,2-trifluoroethoxy)benzeneacetonitrile | C12H12F3NO2

3-Ethoxy-4-(2,2,2-trifluoroethoxy)benzeneacetonitrile

  • Molecular FormulaC12H12F3NO2
  • Average mass259.224 Da
  • Monoisotopic mass259.082001 Da
  • ChemSpider ID25997292

More details:

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

[3-Ethoxy-4-(2,2,2-trifluorethoxy)phenyl]acetonitril [German] [ACD/IUPAC Name]
[3-Ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile [ACD/IUPAC Name]
[3-Éthoxy-4-(2,2,2-trifluoroéthoxy)phényl]acétonitrile [French] [ACD/IUPAC Name]
1193388-18-9 [RN]
3-Ethoxy-4-(2,2,2-trifluoroethoxy)benzeneacetonitrile
Benzeneacetonitrile, 3-ethoxy-4-(2,2,2-trifluoroethoxy)- [ACD/Index Name]
2-[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]acetonitrile
MFCD12912920 [MDL number]

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

Density: 1.2±0.1 g/cm3
Boiling Point: 311.6±42.0 °C at 760 mmHg
Vapour Pressure: 0.0±0.7 mmHg at 25°C
Enthalpy of Vaporization: 55.3±3.0 kJ/mol
Flash Point: 142.2±27.9 °C
Index of Refraction: 1.464
Molar Refractivity: 58.8±0.3 cm3
#H bond acceptors: 3
#H bond donors: 0
#Freely Rotating Bonds: 7
#Rule of 5 Violations: 0
ACD/LogP: 2.68
ACD/LogD (pH 5.5): 2.29
ACD/BCF (pH 5.5): 32.36
ACD/KOC (pH 5.5): 419.26
ACD/LogD (pH 7.4): 2.29
ACD/BCF (pH 7.4): 32.36
ACD/KOC (pH 7.4): 419.26
Polar Surface Area: 42 Å2
Polarizability: 23.3±0.5 10-24cm3
Surface Tension: 32.5±3.0 dyne/cm
Molar Volume: 213.0±3.0 cm3

Click to predict properties on the Chemicalize site


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