ChemSpider 2D Image | Dimethyl 2-bromoisophthalate | C10H9BrO4

Dimethyl 2-bromoisophthalate

  • Molecular FormulaC10H9BrO4
  • Average mass273.080 Da
  • Monoisotopic mass271.968414 Da
  • ChemSpider ID26559604

More details:

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

1,3-Benzenedicarboxylic acid, 2-bromo-, 1,3-dimethyl ester
1,3-Benzenedicarboxylic acid, 2-bromo-, dimethyl ester [ACD/Index Name]
2-Bromoisophtalate de diméthyle [French] [ACD/IUPAC Name]
39622-80-5 [RN]
Dimethyl 2-bromoisophthalate [ACD/IUPAC Name]
Dimethyl-2-bromisophthalat [German] [ACD/IUPAC Name]
1,3-dimethyl 2-bromobenzene-1,3-dicarboxylate
2-bromo-isophthalic acid dimethyl ester
2-Bromoisophthalic acid dimethyl ester
2-Bromoisophthalic acid dimethylester
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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: 313.0±22.0 °C at 760 mmHg
    Vapour Pressure: 0.0±0.7 mmHg at 25°C
    Enthalpy of Vaporization: 55.4±3.0 kJ/mol
    Flash Point: 143.1±22.3 °C
    Index of Refraction: 1.547
    Molar Refractivity: 57.5±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 0
    #Freely Rotating Bonds: 4
    #Rule of 5 Violations: 0
    ACD/LogP: 2.38
    ACD/LogD (pH 5.5): 2.62
    ACD/BCF (pH 5.5): 57.92
    ACD/KOC (pH 5.5): 635.99
    ACD/LogD (pH 7.4): 2.62
    ACD/BCF (pH 7.4): 57.92
    ACD/KOC (pH 7.4): 635.99
    Polar Surface Area: 53 Å2
    Polarizability: 22.8±0.5 10-24cm3
    Surface Tension: 44.1±3.0 dyne/cm
    Molar Volume: 181.4±3.0 cm3

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