ChemSpider 2D Image | 8-Bromo-5-(trifluoromethoxy)quinoline | C10H5BrF3NO

8-Bromo-5-(trifluoromethoxy)quinoline

  • Molecular FormulaC10H5BrF3NO
  • Average mass292.052 Da
  • Monoisotopic mass290.950653 Da
  • ChemSpider ID25949467

More details:

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

1133115-91-9 [RN]
8-Brom-5-(trifluormethoxy)chinolin [German] [ACD/IUPAC Name]
8-Bromo-5-(trifluorométhoxy)quinoléine [French] [ACD/IUPAC Name]
8-Bromo-5-(trifluoromethoxy)quinoline [ACD/IUPAC Name]
Quinoline, 8-bromo-5-(trifluoromethoxy)- [ACD/Index Name]
[1133115-91-9] [RN]
98%
HC-2439
MFCD11855905 [MDL number]

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

CCRIS 4693 [DBID]

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

    Density: 1.7±0.1 g/cm3
    Boiling Point: 294.5±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.3±3.0 kJ/mol
    Flash Point: 131.9±25.9 °C
    Index of Refraction: 1.572
    Molar Refractivity: 57.0±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.20
    ACD/LogD (pH 5.5): 3.74
    ACD/BCF (pH 5.5): 412.14
    ACD/KOC (pH 5.5): 2590.89
    ACD/LogD (pH 7.4): 3.74
    ACD/BCF (pH 7.4): 412.15
    ACD/KOC (pH 7.4): 2590.97
    Polar Surface Area: 22 Å2
    Polarizability: 22.6±0.5 10-24cm3
    Surface Tension: 40.0±3.0 dyne/cm
    Molar Volume: 173.4±3.0 cm3

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