Found 537 results

Search term: MF = 'C_{8}H_{9}BrN_{2}'
ChemSpider 2D Image | 4-Bromo-1,2,5-trimethyl-1H-pyrrole-3-carbonitrile | C8H9BrN2

4-Bromo-1,2,5-trimethyl-1H-pyrrole-3-carbonitrile

  • Molecular FormulaC8H9BrN2
  • Average mass213.074 Da
  • Monoisotopic mass211.994904 Da
  • ChemSpider ID28542486

More details:

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

1393728-46-5 [RN]
1H-Pyrrole-3-carbonitrile, 4-bromo-1,2,5-trimethyl- [ACD/Index Name]
4-Brom-1,2,5-trimethyl-1H-pyrrol-3-carbonitril [German] [ACD/IUPAC Name]
4-Bromo-1,2,5-trimethyl-1H-pyrrole-3-carbonitrile [ACD/IUPAC Name]
4-Bromo-1,2,5-triméthyl-1H-pyrrole-3-carbonitrile [French] [ACD/IUPAC Name]
4-bromo-1,2,5-trimethylpyrrole-3-carbonitrile
MFCD22548407 [MDL number]

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 331.0±42.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 57.4±3.0 kJ/mol
    Flash Point: 154.0±27.9 °C
    Index of Refraction: 1.576
    Molar Refractivity: 49.7±0.5 cm3
    #H bond acceptors: 2
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.14
    ACD/LogD (pH 5.5): 2.48
    ACD/BCF (pH 5.5): 45.38
    ACD/KOC (pH 5.5): 534.04
    ACD/LogD (pH 7.4): 2.48
    ACD/BCF (pH 7.4): 45.38
    ACD/KOC (pH 7.4): 534.04
    Polar Surface Area: 29 Å2
    Polarizability: 19.7±0.5 10-24cm3
    Surface Tension: 37.1±7.0 dyne/cm
    Molar Volume: 150.2±7.0 cm3

    Click to predict properties on the Chemicalize site


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