Found 37 results

Search term: MF = 'C_{7}H_{4}BrN_{3}'
ChemSpider 2D Image | 3-Bromo-1-(2-propyn-1-yl)-1H-pyrazole-4-carbonitrile | C7H4BrN3

3-Bromo-1-(2-propyn-1-yl)-1H-pyrazole-4-carbonitrile

  • Molecular FormulaC7H4BrN3
  • Average mass210.031 Da
  • Monoisotopic mass208.958847 Da
  • ChemSpider ID35506964

More details:

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

1H-Pyrazole-4-carbonitrile, 3-bromo-1-(2-propyn-1-yl)- [ACD/Index Name]
3-Brom-1-(2-propin-1-yl)-1H-pyrazol-4-carbonitril [German] [ACD/IUPAC Name]
3-Bromo-1-(2-propyn-1-yl)-1H-pyrazole-4-carbonitrile [ACD/IUPAC Name]
3-Bromo-1-(2-propyn-1-yl)-1H-pyrazole-4-carbonitrile [French] [ACD/IUPAC Name]
1823838-47-6 [RN]
3-Bromo-1-prop-2-ynyl-1H-pyrazole-4-carbonitrile
3-bromo-1-prop-2-ynylpyrazole-4-carbonitrile
MFCD28247250

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 336.5±37.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 58.0±3.0 kJ/mol
    Flash Point: 157.3±26.5 °C
    Index of Refraction: 1.607
    Molar Refractivity: 48.5±0.5 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 1.34
    ACD/LogD (pH 5.5): 1.33
    ACD/BCF (pH 5.5): 6.08
    ACD/KOC (pH 5.5): 126.64
    ACD/LogD (pH 7.4): 1.33
    ACD/BCF (pH 7.4): 6.08
    ACD/KOC (pH 7.4): 126.64
    Polar Surface Area: 42 Å2
    Polarizability: 19.2±0.5 10-24cm3
    Surface Tension: 46.4±7.0 dyne/cm
    Molar Volume: 140.6±7.0 cm3

    Click to predict properties on the Chemicalize site


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