ChemSpider 2D Image | (2-Bromo-4-methylphenyl)boronic acid | C7H8BBrO2

(2-Bromo-4-methylphenyl)boronic acid

  • Molecular FormulaC7H8BBrO2
  • Average mass214.852 Da
  • Monoisotopic mass213.980072 Da
  • ChemSpider ID24318008

More details:

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

(2-Brom-4-methylphenyl)borsäure [German] [ACD/IUPAC Name]
(2-Bromo-4-methylphenyl)boronic acid [ACD/IUPAC Name]
854636-01-4 [RN]
Acide (2-bromo-4-méthylphényl)boronique [French] [ACD/IUPAC Name]
Boronic acid, B-(2-bromo-4-methylphenyl)- [ACD/Index Name]
170981-26-7 [RN]
2-Bromo-4-methylphenylboronic acid
MFCD27756652

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 335.9±52.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 61.1±3.0 kJ/mol
    Flash Point: 156.9±30.7 °C
    Index of Refraction: 1.585
    Molar Refractivity: 45.6±0.4 cm3
    #H bond acceptors: 2
    #H bond donors: 2
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 2.82
    ACD/LogD (pH 5.5): 2.54
    ACD/BCF (pH 5.5): 50.39
    ACD/KOC (pH 5.5): 575.53
    ACD/LogD (pH 7.4): 2.52
    ACD/BCF (pH 7.4): 47.24
    ACD/KOC (pH 7.4): 539.50
    Polar Surface Area: 40 Å2
    Polarizability: 18.1±0.5 10-24cm3
    Surface Tension: 49.3±5.0 dyne/cm
    Molar Volume: 136.3±5.0 cm3

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