ChemSpider 2D Image | 3,6-Dichloro-2-pyrazinecarbaldehyde | C5H2Cl2N2O

3,6-Dichloro-2-pyrazinecarbaldehyde

  • Molecular FormulaC5H2Cl2N2O
  • Average mass176.988 Da
  • Monoisotopic mass175.954422 Da
  • ChemSpider ID29273315

More details:

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

1357172-39-4 [RN]
2-Pyrazinecarboxaldehyde, 3,6-dichloro- [ACD/Index Name]
3,6-Dichlor-2-pyrazincarbaldehyd [German] [ACD/IUPAC Name]
3,6-Dichloro-2-pyrazinecarbaldehyde [ACD/IUPAC Name]
3,6-Dichloro-2-pyrazinecarbaldéhyde [French] [ACD/IUPAC Name]
3,6-Dichloropyrazine-2-carbaldehyde
[1357172-39-4] [RN]
1188025-81-1 [RN]
DS-4803
MFCD22548401 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 232.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.1±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 46.9±3.0 kJ/mol
    Flash Point: 94.5±25.9 °C
    Index of Refraction: 1.617
    Molar Refractivity: 39.0±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.73
    ACD/LogD (pH 5.5): 1.31
    ACD/BCF (pH 5.5): 5.84
    ACD/KOC (pH 5.5): 123.08
    ACD/LogD (pH 7.4): 1.31
    ACD/BCF (pH 7.4): 5.84
    ACD/KOC (pH 7.4): 123.08
    Polar Surface Area: 43 Å2
    Polarizability: 15.5±0.5 10-24cm3
    Surface Tension: 61.7±3.0 dyne/cm
    Molar Volume: 111.4±3.0 cm3

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