Basic information
- CAS
10059-42-4- Standard SMILES
O=C1OC(c2ccc(OS(=O)(=O)O)cc2)(c2ccc(OS(=O)(=O)O)cc2)c2ccccc21- InChIKey
MVIHXDVCXNPIAL-UHFFFAOYSA-N- Molecular formula
- C20H14O10S2
- Average molar mass
- 478.5 g/mol
- Monoisotopic mass
- 478.00283899
Names & identifiers
- Preferred name
- Dipotassium 1-oxo-3H-isobenzofuran-3,3-diylbis(p-phenylene) bis(sulphate)
- IUPAC
- [4-[3-oxo-1-(4-sulfooxyphenyl)-2-benzofuran-1-yl]phenyl] hydrogen sulfate
- English name
- PHENOLPHTHALEIN DISULFATE TRIPOTASSIUM SALT TRIHYDRATE
- Molecular formula
- C20H14O10S2
- Molecular weight
- 478.45
Names & synonyms
10059-42-4Dipotassium 1-oxo-3H-isobenzofuran-3,3-diylbis(p-phenylene) bis(sulphate)[4-[3-oxo-1-(4-sulfooxyphenyl)-2-benzofuran-1-yl]phenyl] hydrogen sulfate(3-Oxo-1,3-dihydroisobenzofuran-1,1-diyl)bis(4,1-phenylene) bis(hydrogen sulfate)MVIHXDVCXNPIAL-UHFFFAOYSA-Nphenolphthalein disulfateSCHEMBL2546184DTXSID70860537(3-Oxo-1,3-dihydro-2-benzofuran-1,1-diyl)di(4,1-phenylene) bis(hydrogen sulfate)DisulfateTrihydrateTripotassiumSalt1(3H)-Isobenzofuranone, 3,3-bis[4-(sulfooxy)phenyl]-
Database identifiers
- CAS
10059-42-4、52322-16-4- PubChem CID
- 104154
- DTXSID
DTXSID70860537- EC Number
- 257-849-7
- Nikkaji
- J1.643.823E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 170 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 834
Physicochemical properties
- Melting point
- 230 °C · 230 °C
- Density
- 1.679 · 1.679±0.06 g/cm3(Predicted)
- pka
- -4.57 · -4.57±0.18(Predicted)
- Safety Statements
- 24 · 24/25
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
- safety_code
- 24/25
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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