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Basic Information
CAS No.: 2090-82-6
Name: Phenolphthalein diphosphate
Molecular Structure:
Molecular Structure of 2090-82-6 (Phenolphthalein diphosphate)
Formula: C20H16 O10 P2
Molecular Weight: 478.2826
Synonyms: Phenolphthaleindiphosphate (6CI); Phenolphthalein, bis(dihydrogen phosphate) (7CI,8CI)
EINECS: 218-241-7
Density: 1.671 g/cm3
Melting Point: 198 ºC
Boiling Point: 762.1 °C at 760 mmHg
Flash Point: 414.7 °C
Solubility: 50 mg/ 1 ml- slightly hazy, faint yellow solution
Appearance: White powder
Hazard Symbols: Xi
Safety: S24,25
PSA: 179.44000
LogP: 3.09190
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Chemistry

Molecular Structure of Phenolphthalein diphosphate (CAS No.2090-82-6):

Molecular Formula: C20H16O10P2
Molecular Weight: 478.2826
CAS No: 2090-82-6
H bond acceptors: 10
H bond donors: 4
Freely Rotating Bonds: 6
Polar Surface Area: 135.44 Å2
Index of Refraction: 1.681
Molar Refractivity: 108.32 cm3
Molar Volume: 286.1 cm3
Surface Tension: 85.3 dyne/cm
Density: 1.671 g/cm3
Flash Point: 414.7 °C
Enthalpy of Vaporization: 116.46 kJ/mol
Boiling Point: 762.1 °C at 760 mmHg
Vapour Pressure: 2.03E-24 mmHg at 25°C
InChI: InChI=1/C20H16O10P2/c21-19-17-3-1-2-4-18(17)20(28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27/h1-12H,(H2,22,23,24)(H2,25,26,27)
InChIKey: WMDDNKROYKCDJC-UHFFFAOYAT
Std. InChI: InChI=1S/C20H16O10P2/c21-19-17-3-1-2-4-18(17)20(28-19,13-5-9-15(10-6-13)29-31(22,23)24)14-7-11-16(12-8-14)30-32(25,26)27/h1-12H,(H2,22,23,24)(H2,25,26,27)
Std. InChIKey: WMDDNKROYKCDJC-UHFFFAOYSA-N
IUPAC: [4-[3-Oxo-1-(4-phosphonooxyphenyl)-2-benzofuran-1-yl]phenyl] dihydrogen phosphate

Safety Profile

Safety Statements: 24/25
S24/25:Avoid contact with skin and eyes.
WGK Germany: 3

Specification

   Phenolphthalein diphosphate (CAS No.2090-82-6), its synonyms are 1(3H)-Isobenzofuranone, 3,3-bis(4-(phosphonooxy)phenyl)- ; Phenolphthalein, bis(dihydrogen phosphate) .