ChemSpider 2D Image | 3-Fluoro-5-(trifluoromethoxy)benzonitrile | C8H3F4NO

3-Fluoro-5-(trifluoromethoxy)benzonitrile

  • Molecular FormulaC8H3F4NO
  • Average mass205.109 Da
  • Monoisotopic mass205.015076 Da
  • ChemSpider ID24600141

More details:

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

1352999-93-9 [RN]
3-Fluor-5-(trifluormethoxy)benzonitril [German] [ACD/IUPAC Name]
3-Fluoro-5-(trifluoromethoxy)benzonitrile [ACD/IUPAC Name]
3-Fluoro-5-(trifluorométhoxy)benzonitrile [French] [ACD/IUPAC Name]
Benzonitrile, 3-fluoro-5-(trifluoromethoxy)- [ACD/Index Name]
NCR CF EOXFFF [WLN]
α,α,α,5-Tetrafluoro-m-anisonitrile
97%
  • Miscellaneous

    • Safety:

      20/21/22-36/37/38 Alfa Aesar H33944
      6.1 Alfa Aesar H33944
      9-23-26-36/37-60 Alfa Aesar H33944
      H302-H312-H332-H315-H319-H335 Alfa Aesar H33944
      P261-P280-P305+P351+P338-P304+P340-P405-P501a Alfa Aesar H33944
      Warning Alfa Aesar H33944

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

Density: 1.4±0.1 g/cm3
Boiling Point: 164.5±40.0 °C at 760 mmHg
Vapour Pressure: 2.0±0.3 mmHg at 25°C
Enthalpy of Vaporization: 40.1±3.0 kJ/mol
Flash Point: 53.3±27.3 °C
Index of Refraction: 1.445
Molar Refractivity: 38.2±0.4 cm3
#H bond acceptors: 2
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.35
ACD/LogD (pH 5.5): 2.72
ACD/BCF (pH 5.5): 68.93
ACD/KOC (pH 5.5): 720.32
ACD/LogD (pH 7.4): 2.72
ACD/BCF (pH 7.4): 68.93
ACD/KOC (pH 7.4): 720.32
Polar Surface Area: 33 Å2
Polarizability: 15.1±0.5 10-24cm3
Surface Tension: 32.6±5.0 dyne/cm
Molar Volume: 143.5±5.0 cm3

Click to predict properties on the Chemicalize site


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