ChemSpider 2D Image | Tetrabromophenol blue | C19H6Br8O5S

Tetrabromophenol blue

  • Molecular FormulaC19H6Br8O5S
  • Average mass985.545 Da
  • Monoisotopic mass977.340210 Da
  • ChemSpider ID70535

More details:






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

224-622-9 [EINECS]
3,3',3",4,5,5',5",6-Octabromophenolsulfonphthalein
4,4'-(4,5,6,7-tetrabrom-1,1-dioxido-3h-2,1-benzoxathiol-3,3-diyl)bis(2,6-dibrombenzolol)
4,4'-(4,5,6,7-Tetrabrom-1,1-dioxido-3H-2,1-benzoxathiol-3,3-diyl)bis(2,6-dibromphenol) [German] [ACD/IUPAC Name]
4,4'-(4,5,6,7-Tetrabromo-1,1-dioxido-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromophenol) [ACD/IUPAC Name]
4,4'-(4,5,6,7-Tétrabromo-1,1-dioxydo-3H-2,1-benzoxathiole-3,3-diyl)bis(2,6-dibromophénol) [French] [ACD/IUPAC Name]
4430-25-5 [RN]
MFCD00005876 [MDL number]
Phenol, 4,4'-(4,5,6,7-tetrabromo-1,1-dioxido-3H-2,1-benzoxathiol-3-ylidene)bis[2,6-dibromo- [ACD/Index Name]
Tetrabromophenol blue
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Validated by Experts, Validated by Users, Non-Validated, Removed by Users

S6FO6931N7 [DBID]
199311_ALDRICH [DBID]
AIDS124078 [DBID]
AIDS-124078 [DBID]
CCRIS 5488 [DBID]
NSC 11236 [DBID]
NSC11236 [DBID]
UNII:S6FO6931N7 [DBID]

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

Density: 2.7±0.1 g/cm3
Boiling Point: 728.8±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±2.5 mmHg at 25°C
Enthalpy of Vaporization: 110.2±3.0 kJ/mol
Flash Point: 394.5±32.9 °C
Index of Refraction: 1.775
Molar Refractivity: 154.2±0.4 cm3
#H bond acceptors: 5
#H bond donors: 2
#Freely Rotating Bonds: 2
#Rule of 5 Violations: 2
ACD/LogP: 9.50
ACD/LogD (pH 5.5): 7.15
ACD/BCF (pH 5.5): 48368.14
ACD/KOC (pH 5.5): 19140.84
ACD/LogD (pH 7.4): 5.17
ACD/BCF (pH 7.4): 511.06
ACD/KOC (pH 7.4): 202.24
Polar Surface Area: 92 Å2
Polarizability: 61.1±0.5 10-24cm3
Surface Tension: 77.5±3.0 dyne/cm
Molar Volume: 369.3±3.0 cm3

Click to predict properties on the Chemicalize site






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