ChemSpider 2D Image | 4-(Chloromethyl)-1-(2,3-difluorophenyl)-1H-1,2,3-triazole | C9H6ClF2N3

4-(Chloromethyl)-1-(2,3-difluorophenyl)-1H-1,2,3-triazole

  • Molecular FormulaC9H6ClF2N3
  • Average mass229.614 Da
  • Monoisotopic mass229.021835 Da
  • ChemSpider ID40632728

More details:

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

1H-1,2,3-Triazole, 4-(chloromethyl)-1-(2,3-difluorophenyl)- [ACD/Index Name]
4-(Chlormethyl)-1-(2,3-difluorphenyl)-1H-1,2,3-triazol [German] [ACD/IUPAC Name]
4-(Chloromethyl)-1-(2,3-difluorophenyl)-1H-1,2,3-triazole [ACD/IUPAC Name]
4-(Chlorométhyl)-1-(2,3-difluorophényl)-1H-1,2,3-triazole [French] [ACD/IUPAC Name]
1251343-79-9 [RN]
MFCD16747979

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

    Density: 1.5±0.1 g/cm3
    Boiling Point: 359.9±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.5±3.0 kJ/mol
    Flash Point: 171.4±30.7 °C
    Index of Refraction: 1.600
    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: 2.08
    ACD/LogD (pH 5.5): 2.14
    ACD/BCF (pH 5.5): 24.81
    ACD/KOC (pH 5.5): 346.60
    ACD/LogD (pH 7.4): 2.14
    ACD/BCF (pH 7.4): 24.81
    ACD/KOC (pH 7.4): 346.60
    Polar Surface Area: 31 Å2
    Polarizability: 21.1±0.5 10-24cm3
    Surface Tension: 41.3±7.0 dyne/cm
    Molar Volume: 155.8±7.0 cm3

    Click to predict properties on the Chemicalize site


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