Phenolphthalein diphosphate
Basic information
- CAS
2090-82-6- Standard SMILES
O=C1OC(c2ccc(OP(=O)(O)O)cc2)(c2ccc(OP(=O)(O)O)cc2)c2ccccc21- InChIKey
WMDDNKROYKCDJC-UHFFFAOYSA-N- Molecular formula
- C20H16O10P2
- Average molar mass
- 478.3 g/mol
- Monoisotopic mass
- 478.0218707
Names & identifiers
- Preferred name
- Phenolphthalein diphosphate
- IUPAC
- [4-[3-oxo-1-(4-phosphonooxyphenyl)-2-benzofuran-1-yl]phenyl] dihydrogen phosphate
- English name
- Phenolphthalein diphosphate
- Molecular formula
- C20H16O10P2
- Molecular weight
- 478.28
Names & synonyms
Phenolphthalein diphosphate2090-82-6Phenolphthalein phosphateYHR6QWU6MKDTXSID60621711(3H)-Isobenzofuranone, 3,3-bis(4-(phosphonooxy)phenyl)-1(3H)-Isobenzofuranone, 3,3-bis[4-(phosphonooxy)phenyl]-RefChem:172875DTXCID5036397218-241-7(3-Oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(4,1-phenylene) bis(dihydrogen phosphate)[4-[3-oxo-1-(4-phosphonooxyphenyl)-2-benzofuran-1-yl]phenyl] dihydrogen phosphate
Show more names
4*50bl/packagePhenolphthalein disphosphatePhenolphthalein bisphosphatePhenolphthalein diphosphate, pureQuetiapine Monomer Hemifumarate-d4PHENOLPHTHALEIN DIPHOSPHATE FREE ACIDPhenolphthalein diphosphate, 95%, purePhenolphthalein diphosphate monopyridine salt
(4-{3-oxo-1-[4-(phosphonooxy)phenyl]-1,3-dihydro-2-benzofuran-1-yl}phenoxy)phosphonic acid(4-(3-OXO-1-(4-PHOSPHONOOXYPHENYL)-2-BENZOFURAN-1-YL)PHENYL) DIHYDROGEN PHOSPHATEWMDDNKROYKCDJC-UHFFFAOYSA-NUNII-YHR6QWU6MKSCHEMBL2540464EINECS 218-241-73,3-BIS(4-(PHOSPHONOOXY)PHENYL)-1(3H)-ISOBENZOFURANONE(3-Oxo-1,3-dihydro-2-benzofuran-1,1-diyl)di(4,1-phenylene) bis[dihydrogen (phosphate)]
Database identifiers
- CAS
2090-82-6- PubChem CID
- 74975
- DTXSID
DTXSID6062171- UNII
- YHR6QWU6MK
- EC Number
- 218-241-7
- Nikkaji
- J298.689B
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 731
Physicochemical properties
- Melting point
- 198 °C · 198 °C
- Boiling point
- 762.1 · 762.1±70.0 °C(Predicted)
- Density
- 1.671 · 1.671±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- form
- solid
- pka
- 0.88 · 0.88±0.30(Predicted)
- Water Solubility
- NEGLIGIBLE
- CAS DataBase Reference
- 2090 · 2090-82-6
- FDA UNII
- 6 QWU6MK · YHR6QWU6MK
- EPA Substance Registry System
- 1 · 1(3H)-Isobenzofuranone, 3,3-bis[4-(phosphonooxy)phenyl]- (2090-82-6)
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 29322985 · 29322985
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29322985
- safety_code
- 24/25
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1(3H)-Isobenzofuranone, 3,3-bis[4-(phosphonooxy)phenyl]-: INACTIVE
Applications
UsesThe most commonly used reagents for determining acid phosphatase are phenolphthalein diphosphate or its tetrasodium salt, thymolphthalein disodium monophosphate, and naphthylamine disodium monophosphate. These substances are classic phosphate derivatives used to determine pH values and are usually used in sodium salt form. Among these reagents, phenolphthalein diphosphate or its tetrasodium salt is more effective, easier to observe, less expensive than other reagents, and has low toxicity of the phenolphthalein released into the medium.
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