ChemSpider 2D Image | (1S)-1-(4-Bromophenyl)-2-chloroethanol | C8H8BrClO

(1S)-1-(4-Bromophenyl)-2-chloroethanol

  • Molecular FormulaC8H8BrClO
  • Average mass235.505 Da
  • Monoisotopic mass233.944702 Da
  • ChemSpider ID22836925

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

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

(1S)-1-(4-Bromophenyl)-2-chloroethanol [ACD/IUPAC Name]
(1S)-1-(4-Bromophényl)-2-chloroéthanol [French] [ACD/IUPAC Name]
(1S)-1-(4-Bromphenyl)-2-chlorethanol [German] [ACD/IUPAC Name]
Benzenemethanol, 4-bromo-α-(chloromethyl)-, (αS)- [ACD/Index Name]
(1S)-1-(4-bromophenyl)-2-chloroethan-1-ol
(s)-1-(4-bromophenyl)-2-chloroethan-1-ol
(αS)-4-bromo-α-(chloromethyl)-benzenemethanol
1076233-87-8 [RN]
MFCD09863570 [MDL number]

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

    Density: 1.6±0.1 g/cm3
    Boiling Point: 329.1±27.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.8 mmHg at 25°C
    Enthalpy of Vaporization: 60.3±3.0 kJ/mol
    Flash Point: 152.9±23.7 °C
    Index of Refraction: 1.589
    Molar Refractivity: 49.9±0.3 cm3
    #H bond acceptors: 1
    #H bond donors: 1
    #Freely Rotating Bonds: 2
    #Rule of 5 Violations: 0
    ACD/LogP: 2.24
    ACD/LogD (pH 5.5): 2.42
    ACD/BCF (pH 5.5): 40.90
    ACD/KOC (pH 5.5): 495.77
    ACD/LogD (pH 7.4): 2.42
    ACD/BCF (pH 7.4): 40.90
    ACD/KOC (pH 7.4): 495.77
    Polar Surface Area: 20 Å2
    Polarizability: 19.8±0.5 10-24cm3
    Surface Tension: 47.2±3.0 dyne/cm
    Molar Volume: 148.1±3.0 cm3

    Click to predict properties on the Chemicalize site


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