ChemSpider 2D Image | 5-Bromo-1-tert-butyl-1H-pyrazole-4-carbonitrile | C8H10BrN3

5-Bromo-1-tert-butyl-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC8H10BrN3
  • Average mass228.089 Da
  • Monoisotopic mass227.005798 Da
  • ChemSpider ID27445219

More details:

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

1269292-54-7 [RN]
1H-Pyrazole-4-carbonitrile, 5-bromo-1-(1,1-dimethylethyl)- [ACD/Index Name]
5-Brom-1-(2-methyl-2-propanyl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
5-Bromo-1-(2-methyl-2-propanyl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
5-Bromo-1-(2-méthyl-2-propanyl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
5-Bromo-1-(tert-butyl)-1H-pyrazole-4-carbonitrile
5-Bromo-1-tert-butyl-1H-pyrazole-4-carbonitrile
5-bromo-1-tert-butylpyrazole-4-carbonitrile
DS-6699
MFCD20275523

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: 1.4±0.1 g/cm3
    Boiling Point: 317.2±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.9±3.0 kJ/mol
    Flash Point: 145.6±23.7 °C
    Index of Refraction: 1.579
    Molar Refractivity: 53.3±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.19
    ACD/LogD (pH 5.5): 2.40
    ACD/BCF (pH 5.5): 39.16
    ACD/KOC (pH 5.5): 480.59
    ACD/LogD (pH 7.4): 2.40
    ACD/BCF (pH 7.4): 39.16
    ACD/KOC (pH 7.4): 480.59
    Polar Surface Area: 42 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 40.8±7.0 dyne/cm
    Molar Volume: 160.4±7.0 cm3

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