ChemSpider 2D Image | Amino(4-chloro-3-fluorophenyl)acetonitrile | C8H6ClFN2

Amino(4-chloro-3-fluorophenyl)acetonitrile

  • Molecular FormulaC8H6ClFN2
  • Average mass184.598 Da
  • Monoisotopic mass184.020355 Da
  • ChemSpider ID28155746

More details:

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

Amino(4-chlor-3-fluorphenyl)acetonitril [German] [ACD/IUPAC Name]
Amino(4-chloro-3-fluorophenyl)acetonitrile [ACD/IUPAC Name]
Amino(4-chloro-3-fluorophényl)acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, α-amino-4-chloro-3-fluoro- [ACD/Index Name]
1239611-03-0 [RN]
1821734-94-4 [RN]
1821770-31-3 [RN]
2-amino-2-(4-chloro-3-fluorophenyl)acetonitrile
MFCD16040259
MFCD22643297
More...

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

    Density: 1.4±0.1 g/cm3
    Boiling Point: 277.9±40.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.6±3.0 kJ/mol
    Flash Point: 121.8±27.3 °C
    Index of Refraction: 1.561
    Molar Refractivity: 44.1±0.3 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 1.46
    ACD/LogD (pH 5.5): 1.30
    ACD/BCF (pH 5.5): 5.61
    ACD/KOC (pH 5.5): 115.98
    ACD/LogD (pH 7.4): 1.35
    ACD/BCF (pH 7.4): 6.26
    ACD/KOC (pH 7.4): 129.30
    Polar Surface Area: 50 Å2
    Polarizability: 17.5±0.5 10-24cm3
    Surface Tension: 50.3±3.0 dyne/cm
    Molar Volume: 136.2±3.0 cm3

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