ChemSpider 2D Image | Tetrabromophenolphthalein | C20H10Br4O4

Tetrabromophenolphthalein

  • Molecular FormulaC20H10Br4O4
  • Average mass633.907 Da
  • Monoisotopic mass629.731201 Da
  • ChemSpider ID59012

More details:

Featured data source
The Merck Index Online

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

1(3H)-Isobenzofuranone, 3,3-bis(3,5-dibromo-4-hydroxyphenyl)- [ACD/Index Name]
200-974-9 [EINECS]
3,3,5,5-TETRABROMOPHENOLPHTHALEIN
3',3'',5',5''-TETRABROMOPHENOLPHTHALEIN
3,3-Bis(3,5-dibrom-4-hydroxyphenyl)-2-benzofuran-1(3H)-on [German] [ACD/IUPAC Name]
3,3-Bis(3,5-dibromo-4-hydroxyphenyl)-1(3H)-isobenzofuranone
3,3-Bis(3,5-dibromo-4-hydroxyphenyl)-2-benzofuran-1(3H)-one [ACD/IUPAC Name]
3,3-Bis(3,5-dibromo-4-hydroxyphényl)-2-benzofuran-1(3H)-one [French] [ACD/IUPAC Name]
3,3-Bis(3,5-dibromo-4-hydroxyphenyl)isobenzofuran-1(3H)-one
76-62-0 [RN]
More...

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

YZ4HT20I0V [DBID]
234168_SIAL [DBID]
NSC 21261 [DBID]
NSC21261 [DBID]
UNII:YZ4HT20I0V [DBID]
UNII-YZ4HT20I0V [DBID]
ZINC04284467 [DBID]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 2.2±0.1 g/cm3
Boiling Point: 598.6±50.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.8 mmHg at 25°C
Enthalpy of Vaporization: 92.4±3.0 kJ/mol
Flash Point: 315.8±30.1 °C
Index of Refraction: 1.741
Molar Refractivity: 118.9±0.3 cm3
#H bond acceptors: 4
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 6.49
ACD/LogD (pH 5.5): 6.40
ACD/BCF (pH 5.5): 41296.24
ACD/KOC (pH 5.5): 66419.73
ACD/LogD (pH 7.4): 4.59
ACD/BCF (pH 7.4): 641.49
ACD/KOC (pH 7.4): 1031.75
Polar Surface Area: 67 Å2
Polarizability: 47.1±0.5 10-24cm3
Surface Tension: 71.6±3.0 dyne/cm
Molar Volume: 294.5±3.0 cm3

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