ChemSpider 2D Image | bis(3,5-dibromosalicyl)fumarate | C18H8Br4O8


  • Molecular FormulaC18H8Br4O8
  • Average mass671.867 Da
  • Monoisotopic mass667.695251 Da
  • ChemSpider ID4775186
  • Double-bond stereo - Double-bond stereo

More details:

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

1,4-Bis(2,4-dibromo-6-carboxyphenyl) (2E)-2-butenedioate
2,2'-{[(2E)-1,4-Dioxo-2-buten-1,4-diyl]bis(oxy)}bis(3,5-dibrombenzoesäure) [German] [ACD/IUPAC Name]
2,2'-{[(2E)-1,4-Dioxo-2-butene-1,4-diyl]bis(oxy)}bis(3,5-dibromobenzoic acid) [ACD/IUPAC Name]
2-Butenedioic acid, bis(2,4-dibromo-6-carboxyphenyl) ester, (2E)- [ACD/Index Name]
71337-53-6 [RN]
Acide 2,2'-{[(2E)-1,4-dioxo-2-butène-1,4-diyl]bis(oxy)}bis(3,5-dibromobenzoïque) [French] [ACD/IUPAC Name]
(E)-2,2'-(Fumaroylbis(oxy))bis(3,5-dibromobenzoic acid)
2-{(2E)-3-[(4,6-dibromo-2-carboxyphenyl)oxycarbonyl]prop-2-enoyloxy}-3,5-dibromobenzoic acid
2-Butenedioic acid (E)-, bis(2,4-dibromo-6-carboxyphenyl) ester

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


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

Density: 2.2±0.1 g/cm3
Boiling Point: 726.1±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 111.3±3.0 kJ/mol
Flash Point: 392.9±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: 5.87
ACD/LogD (pH 5.5): 1.61
ACD/BCF (pH 5.5): 1.00
ACD/KOC (pH 5.5): 2.31
ACD/LogD (pH 7.4): 1.61
ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 7.4): 2.29
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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