ChemSpider 2D Image | 2,2'-{[(2E)-1,4-Dioxo-2-butene-1,4-diyl]bis(oxy)}bis(3,4-dibromobenzoic acid) | C18H8Br4O8

2,2'-{[(2E)-1,4-Dioxo-2-butene-1,4-diyl]bis(oxy)}bis(3,4-dibromobenzoic acid)

  • Molecular FormulaC18H8Br4O8
  • Average mass671.867 Da
  • Monoisotopic mass667.695251 Da
  • ChemSpider ID4943494
  • Double-bond stereo - Double-bond stereo


More details:






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

2,2'-{[(2E)-1,4-Dioxo-2-buten-1,4-diyl]bis(oxy)}bis(3,4-dibrombenzoesäure) [German] [ACD/IUPAC Name]
2,2'-{[(2E)-1,4-Dioxo-2-butene-1,4-diyl]bis(oxy)}bis(3,4-dibromobenzoic acid) [ACD/IUPAC Name]
2-Butenedioic acid, bis(2,3-dibromo-6-carboxyphenyl) ester, (2E)- [ACD/Index Name]
Acide 2,2'-{[(2E)-1,4-dioxo-2-butène-1,4-diyl]bis(oxy)}bis(3,4-dibromobenzoïque) [French] [ACD/IUPAC Name]
106044-07-9 [RN]
2,3-Fumaryl-diaspirin
bis(2,3-dibromosalicyl)fumarate

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module

Density: 2.2±0.1 g/cm3
Boiling Point: 729.4±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.8±3.0 kJ/mol
Flash Point: 394.9±32.9 °C
Index of Refraction: 1.688
Molar Refractivity: 117.8±0.3 cm3
#H bond acceptors: 8
#H bond donors: 2
#Freely Rotating Bonds: 8
#Rule of 5 Violations: 2
ACD/LogP: 5.78
ACD/LogD (pH 5.5): 1.85
ACD/BCF (pH 5.5): 1.51
ACD/KOC (pH 5.5): 3.12
ACD/LogD (pH 7.4): 1.84
ACD/BCF (pH 7.4): 1.49
ACD/KOC (pH 7.4): 3.06
Polar Surface Area: 127 Å2
Polarizability: 46.7±0.5 10-24cm3
Surface Tension: 71.6±3.0 dyne/cm
Molar Volume: 309.0±3.0 cm3

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