ChemSpider 2D Image | TBPE | C22H14Br4O4

TBPE

  • Molecular FormulaC22H14Br4O4
  • Average mass661.960 Da
  • Monoisotopic mass657.762512 Da
  • ChemSpider ID83837

More details:






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

1176-74-5 [RN]
2-[(3,5-Dibromo-4-hydroxyphényl)(3,5-dibromo-4-oxo-2,5-cyclohexadién-1-ylidène)méthyl]benzoate d'éthyle [French] [ACD/IUPAC Name]
214-645-2 [EINECS]
3',3",5',5"-Tetrabromophenolphthaleinethyl ester
Benzoic acid, 2-((3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)-, ethyl ester
Benzoic acid, 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]-, ethyl ester [ACD/Index Name]
Chromoionophore VIII
ethyl 2-((3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl)benzoate
Ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxo-2,5-cyclohexadien-1-ylidene)methyl]benzoate [ACD/IUPAC Name]
Ethyl 2-[(3,5-dibromo-4-hydroxyphenyl)(3,5-dibromo-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoate
More...

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

2228548 [DBID]
6D91NS781O [DBID]
27098_FLUKA [DBID]
86778_FLUKA [DBID]
NSC 16214 [DBID]
NSC16214 [DBID]
UNII:6D91NS781O [DBID]
UNII-6D91NS781O [DBID]
ZINC04261803 [DBID]

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

    Density: 2.0±0.1 g/cm3
    Boiling Point: 619.9±55.0 °C at 760 mmHg
    Vapour Pressure: 0.0±1.9 mmHg at 25°C
    Enthalpy of Vaporization: 95.2±3.0 kJ/mol
    Flash Point: 328.7±31.5 °C
    Index of Refraction: 1.707
    Molar Refractivity: 129.9±0.3 cm3
    #H bond acceptors: 4
    #H bond donors: 1
    #Freely Rotating Bonds: 5
    #Rule of 5 Violations: 2
    ACD/LogP: 6.96
    ACD/LogD (pH 5.5): 6.84
    ACD/BCF (pH 5.5): 89871.38
    ACD/KOC (pH 5.5): 116786.55
    ACD/LogD (pH 7.4): 5.74
    ACD/BCF (pH 7.4): 7126.11
    ACD/KOC (pH 7.4): 9260.27
    Polar Surface Area: 64 Å2
    Polarizability: 51.5±0.5 10-24cm3
    Surface Tension: 65.3±3.0 dyne/cm
    Molar Volume: 333.7±3.0 cm3

    Click to predict properties on the Chemicalize site






    Advertisement