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Search term: MF = 'C_{11}H_{12}BrN'
ChemSpider 2D Image | 4-Bromo-2-(tert-butyl)benzonitrile | C11H12BrN

4-Bromo-2-(tert-butyl)benzonitrile

  • Molecular FormulaC11H12BrN
  • Average mass238.124 Da
  • Monoisotopic mass237.015305 Da
  • ChemSpider ID44253166

More details:

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

1369819-64-6 [RN]
4-Brom-2-(2-methyl-2-propanyl)benzonitril [German] [ACD/IUPAC Name]
4-Bromo-2-(2-methyl-2-propanyl)benzonitrile [ACD/IUPAC Name]
4-Bromo-2-(2-méthyl-2-propanyl)benzonitrile [French] [ACD/IUPAC Name]
4-Bromo-2-(tert-butyl)benzonitrile
Benzonitrile, 4-bromo-2-(1,1-dimethylethyl)- [ACD/Index Name]
4-bromo-2-t-butylbenzonitrile
4-bromo-2-tert-butylbenzonitrile
DS-9446
MFCD28963501

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

    Density: 1.3±0.1 g/cm3
    Boiling Point: 282.9±20.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.2±3.0 kJ/mol
    Flash Point: 124.9±21.8 °C
    Index of Refraction: 1.556
    Molar Refractivity: 57.6±0.4 cm3
    #H bond acceptors: 1
    #H bond donors: 0
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 4.11
    ACD/LogD (pH 5.5): 3.96
    ACD/BCF (pH 5.5): 606.60
    ACD/KOC (pH 5.5): 3416.68
    ACD/LogD (pH 7.4): 3.96
    ACD/BCF (pH 7.4): 606.60
    ACD/KOC (pH 7.4): 3416.68
    Polar Surface Area: 24 Å2
    Polarizability: 22.8±0.5 10-24cm3
    Surface Tension: 43.1±5.0 dyne/cm
    Molar Volume: 179.1±5.0 cm3

    Click to predict properties on the Chemicalize site


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