ChemSpider 2D Image | 5-Chloro-2,4-difluorophenylacetonitrile | C8H4ClF2N

5-Chloro-2,4-difluorophenylacetonitrile

  • Molecular FormulaC8H4ClF2N
  • Average mass187.574 Da
  • Monoisotopic mass187.000031 Da
  • ChemSpider ID45463918

More details:

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

(5-Chlor-2,4-difluorphenyl)acetonitril [German] [ACD/IUPAC Name]
(5-Chloro-2,4-difluorophenyl)acetonitrile [ACD/IUPAC Name]
(5-Chloro-2,4-difluorophényl)acétonitrile [French] [ACD/IUPAC Name]
2-(5-Chloro-2,4-difluorophenyl)acetonitrile [ACD/IUPAC Name]
5-Chloro-2,4-difluorobenzeneacetonitrile
5-Chloro-2,4-difluorophenylacetonitrile [ACD/IUPAC Name]
Benzeneacetonitrile, 5-chloro-2,4-difluoro- [ACD/Index Name]
NC1R CG DF FF [WLN]
1429422-26-3 [RN]
MFCD28402683 [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: 253.6±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.5 mmHg at 25°C
    Enthalpy of Vaporization: 49.1±3.0 kJ/mol
    Flash Point: 107.1±25.9 °C
    Index of Refraction: 1.509
    Molar Refractivity: 40.6±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.24
    ACD/LogD (pH 5.5): 2.50
    ACD/BCF (pH 5.5): 46.64
    ACD/KOC (pH 5.5): 544.61
    ACD/LogD (pH 7.4): 2.50
    ACD/BCF (pH 7.4): 46.64
    ACD/KOC (pH 7.4): 544.61
    Polar Surface Area: 24 Å2
    Polarizability: 16.1±0.5 10-24cm3
    Surface Tension: 40.1±3.0 dyne/cm
    Molar Volume: 136.0±3.0 cm3

    Click to predict properties on the Chemicalize site


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