ChemSpider 2D Image | [4-Bromo-3-(trifluoromethyl)phenyl]acetonitrile | C9H5BrF3N

[4-Bromo-3-(trifluoromethyl)phenyl]acetonitrile

  • Molecular FormulaC9H5BrF3N
  • Average mass264.042 Da
  • Monoisotopic mass262.955750 Da
  • ChemSpider ID23347475

More details:

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

[4-Brom-3-(trifluormethyl)phenyl]acetonitril [German] [ACD/IUPAC Name]
[4-Bromo-3-(trifluoromethyl)phenyl]acetonitrile [ACD/IUPAC Name]
[4-Bromo-3-(trifluorométhyl)phényl]acétonitrile [French] [ACD/IUPAC Name]
Benzeneacetonitrile, 4-bromo-3-(trifluoromethyl)- [ACD/Index Name]
1159512-69-2 [RN]
2-(4-bromo-3-(trifluoromethyl)phenyl)acetonitrile
2-[4-bromo-3-(trifluoromethyl)phenyl]acetonitrile
2-[4-bromo-3-(trifluoromethyl)phenyl]ethanenitrile
2-Bromo-5-(cyanomethyl)benzotrifluoride, 4-Bromo-3-(trifluoromethyl)benzyl cyanide
2-Bromo-5-(cyanomethyl)benzotrifluoride; 4-Bromo-3-(trifluoromethyl)benzyl cyanide
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.6±0.1 g/cm3
    Boiling Point: 273.0±35.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 51.1±3.0 kJ/mol
    Flash Point: 118.9±25.9 °C
    Index of Refraction: 1.497
    Molar Refractivity: 48.4±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 3
    #Rule of 5 Violations: 0
    ACD/LogP: 2.68
    ACD/LogD (pH 5.5): 3.43
    ACD/BCF (pH 5.5): 237.96
    ACD/KOC (pH 5.5): 1748.65
    ACD/LogD (pH 7.4): 3.43
    ACD/BCF (pH 7.4): 237.96
    ACD/KOC (pH 7.4): 1748.65
    Polar Surface Area: 24 Å2
    Polarizability: 19.2±0.5 10-24cm3
    Surface Tension: 34.2±3.0 dyne/cm
    Molar Volume: 165.3±3.0 cm3

    Click to predict properties on the Chemicalize site


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