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Search term: MF = 'C_{9}H_{6}BrF_{3}O_{3}'
ChemSpider 2D Image | Methyl 3-bromo-4-(trifluoromethoxy)benzoate | C9H6BrF3O3

Methyl 3-bromo-4-(trifluoromethoxy)benzoate

  • Molecular FormulaC9H6BrF3O3
  • Average mass299.041 Da
  • Monoisotopic mass297.945221 Da
  • ChemSpider ID23960248

More details:

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

3-Bromo-4-(trifluorométhoxy)benzoate de méthyle [French] [ACD/IUPAC Name]
Benzoic acid, 3-bromo-4-(trifluoromethoxy)-, methyl ester [ACD/Index Name]
Methyl 3-bromo-4-(trifluoromethoxy)benzoate [ACD/IUPAC Name]
Methyl-3-brom-4-(trifluormethoxy)benzoat [German] [ACD/IUPAC Name]
(5-Phenyl-4H-[1,2,4]triazol-3-ylmethyl)-carbamic acid tert-butyl ester
[1131594-45-0] [RN]
1131594-45-0 [RN]
95%
methyl3-bromo-4-(trifluoromethoxy)benzoate
methyl-3-bromo-4-(trifluoromethoxy)benzoate
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 260.7±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.8±3.0 kJ/mol
    Flash Point: 111.5±25.9 °C
    Index of Refraction: 1.487
    Molar Refractivity: 52.9±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 3.79
    ACD/LogD (pH 5.5): 3.48
    ACD/BCF (pH 5.5): 262.17
    ACD/KOC (pH 5.5): 1874.23
    ACD/LogD (pH 7.4): 3.48
    ACD/BCF (pH 7.4): 262.17
    ACD/KOC (pH 7.4): 1874.23
    Polar Surface Area: 36 Å2
    Polarizability: 21.0±0.5 10-24cm3
    Surface Tension: 33.6±3.0 dyne/cm
    Molar Volume: 183.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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