ChemSpider 2D Image | Bromopyrogallol Red | C19H10Br2O8S

Bromopyrogallol Red

  • Molecular FormulaC19H10Br2O8S
  • Average mass558.151 Da
  • Monoisotopic mass555.846313 Da
  • ChemSpider ID77105

More details:

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

1,1-Dioxyde de 2',7'-dibromospiro[2,1-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tétrol [French] [ACD/IUPAC Name]
16574-43-9 [RN]
2',7'-Dibromospiro[2,1-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol 1,1-dioxide [ACD/IUPAC Name]
2',7'-Dibromspiro[2,1-benzoxathiole-3,9'-xanthene]-3',4',5',6'-tetrol-1,1-dioxid [German] [ACD/IUPAC Name]
240-632-6 [EINECS]
Bromopyrogallol Red [Wiki]
MFCD00148865 [MDL number]
spiro(3h-2,1-benzoxathiole-3,9'-(9h)xanthene)-3',4',5',6'-tetrol, 2',7'-dibromo-, 1,1-dioxide
Spiro[3H-2,1-benzoxathiole-3,9'-[9H]xanthene]-3',4',5',6'-tetrol, 2',7'-dibromo-, 1,1-dioxide [ACD/Index Name]

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

AI3-63055 [DBID]
NSC 315537 [DBID]
NSC315537 [DBID]

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

Density: 2.4±0.1 g/cm3
Boiling Point: 681.2±55.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.2 mmHg at 25°C
Enthalpy of Vaporization: 103.5±3.0 kJ/mol
Flash Point: 365.8±31.5 °C
Index of Refraction: 1.928
Molar Refractivity: 110.6±0.4 cm3
#H bond acceptors: 8
#H bond donors: 4
#Freely Rotating Bonds: 0
#Rule of 5 Violations: 1
ACD/LogP: 4.73
ACD/LogD (pH 5.5): 4.69
ACD/BCF (pH 5.5): 2141.89
ACD/KOC (pH 5.5): 8300.91
ACD/LogD (pH 7.4): 3.81
ACD/BCF (pH 7.4): 278.04
ACD/KOC (pH 7.4): 1077.54
Polar Surface Area: 142 Å2
Polarizability: 43.8±0.5 10-24cm3
Surface Tension: 144.6±5.0 dyne/cm
Molar Volume: 232.6±5.0 cm3

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