ChemSpider 2D Image | 1,3-Benzodioxole-4-carbonyl chloride | C8H5ClO3

1,3-Benzodioxole-4-carbonyl chloride

  • Molecular FormulaC8H5ClO3
  • Average mass184.577 Da
  • Monoisotopic mass183.992722 Da
  • ChemSpider ID11480159

More details:

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

1,3-Benzodioxol-4-carbonylchlorid [German] [ACD/IUPAC Name]
1,3-Benzodioxole-4-carbonyl chloride [ACD/Index Name] [ACD/IUPAC Name]
66411-55-0 [RN]
Benzo[d][1,3]dioxole-4-carbonyl chloride
Chlorure de 1,3-benzodioxole-4-carbonyle [French] [ACD/IUPAC Name]
1,3-Benzodioxole 4-carbonyl chloride
1,3-Benzodioxole-4-carbonyl chloride (9CI)
1,3-Benzodioxole-4-carbonylchloride
1,3-Benzodioxole4-Carbonylchloride
1,3-Benzodioxole-4-carbonylchloride(9CI)
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.5±0.1 g/cm3
    Boiling Point: 285.5±29.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.6 mmHg at 25°C
    Enthalpy of Vaporization: 52.5±3.0 kJ/mol
    Flash Point: 132.3±23.3 °C
    Index of Refraction: 1.587
    Molar Refractivity: 42.7±0.3 cm3
    #H bond acceptors: 3
    #H bond donors: 0
    #Freely Rotating Bonds: 1
    #Rule of 5 Violations: 0
    ACD/LogP: 1.89
    ACD/LogD (pH 5.5): 1.83
    ACD/BCF (pH 5.5): 14.48
    ACD/KOC (pH 5.5): 235.73
    ACD/LogD (pH 7.4): 1.83
    ACD/BCF (pH 7.4): 14.48
    ACD/KOC (pH 7.4): 235.73
    Polar Surface Area: 36 Å2
    Polarizability: 16.9±0.5 10-24cm3
    Surface Tension: 55.4±3.0 dyne/cm
    Molar Volume: 127.0±3.0 cm3

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