ChemSpider 2D Image | 1,2,3-Trifluoro-5-isocyanatobenzene | C7H2F3NO

1,2,3-Trifluoro-5-isocyanatobenzene

  • Molecular FormulaC7H2F3NO
  • Average mass173.092 Da
  • Monoisotopic mass173.008850 Da
  • ChemSpider ID21329960

More details:

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

1,2,3-Trifluor-5-isocyanatobenzol [German] [ACD/IUPAC Name]
1,2,3-Trifluoro-5-isocyanatobenzene [ACD/IUPAC Name]
1,2,3-Trifluoro-5-isocyanatobenzène [French] [ACD/IUPAC Name]
869285-47-2 [RN]
Benzene, 1,2,3-trifluoro-5-isocyanato- [ACD/Index Name]
[869285-47-2] [RN]
3,4,5-trifluorobenzenisocyanate
3,4,5-Trifluorophenylisocyanate
VS-14342

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

MFCD09971931 [DBID]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 197.3±40.0 °C at 760 mmHg
    Vapour Pressure: 0.4±0.4 mmHg at 25°C
    Enthalpy of Vaporization: 43.4±3.0 kJ/mol
    Flash Point: 64.5±17.0 °C
    Index of Refraction: 1.474
    Molar Refractivity: 35.8±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.08
    ACD/LogD (pH 5.5): 2.91
    ACD/BCF (pH 5.5): 95.57
    ACD/KOC (pH 5.5): 910.20
    ACD/LogD (pH 7.4): 2.91
    ACD/BCF (pH 7.4): 95.57
    ACD/KOC (pH 7.4): 910.20
    Polar Surface Area: 29 Å2
    Polarizability: 14.2±0.5 10-24cm3
    Surface Tension: 29.1±7.0 dyne/cm
    Molar Volume: 127.4±7.0 cm3

    Click to predict properties on the Chemicalize site


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