ChemSpider 2D Image | 1-(4-Bromophenyl)-3,5-dimethyl-1H-pyrazole | C11H11BrN2

1-(4-Bromophenyl)-3,5-dimethyl-1H-pyrazole

  • Molecular FormulaC11H11BrN2
  • Average mass251.122 Da
  • Monoisotopic mass250.010559 Da
  • ChemSpider ID21473104

More details:

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

1-(4-Bromophenyl)-3,5-dimethyl-1H-pyrazole [ACD/IUPAC Name]
1-(4-Bromo-phenyl)-3,5-dimethyl-1H-pyrazole
1-(4-Bromophényl)-3,5-diméthyl-1H-pyrazole [French] [ACD/IUPAC Name]
1-(4-Bromphenyl)-3,5-dimethyl-1H-pyrazol [German] [ACD/IUPAC Name]
1H-Pyrazole, 1-(4-bromophenyl)-3,5-dimethyl- [ACD/Index Name]
62546-27-4 [RN]
[62546-27-4] [RN]
1-(4-bromophenyl)-3,5-dimethylpyrazole
1-Bromo-4-(3,5-dimethyl-1H-pyrazol-1-yl)benzene
97%
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.4±0.1 g/cm3
    Boiling Point: 316.9±30.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 53.6±3.0 kJ/mol
    Flash Point: 145.5±24.6 °C
    Index of Refraction: 1.614
    Molar Refractivity: 62.3±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 3.81
    ACD/LogD (pH 5.5): 3.75
    ACD/BCF (pH 5.5): 414.76
    ACD/KOC (pH 5.5): 2602.62
    ACD/LogD (pH 7.4): 3.75
    ACD/BCF (pH 7.4): 414.80
    ACD/KOC (pH 7.4): 2602.87
    Polar Surface Area: 18 Å2
    Polarizability: 24.7±0.5 10-24cm3
    Surface Tension: 40.7±7.0 dyne/cm
    Molar Volume: 178.9±7.0 cm3

    Click to predict properties on the Chemicalize site


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