Basic information
- Name:
1(3H)-Isobenzofuranone,3,3-bis[4-(phosphonooxy)phenyl]-
- Superlist Name:
- Phenolphthalein diphosphate
- CAS No.:
2090-82-6
- Molecular Structure:
![Molecular Structure of 2090-82-6 (1(3H)-Isobenzofuranone,3,3-bis[4-(phosphonooxy)phenyl]-)](http://www.lookchem.com/300w/2010/069/2090-82-6.jpg)
- 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
- Safety Description:
- S24,25 Details
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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) .