1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt
Basic information
- CAS
518-51-4- Standard SMILES
O=C1OC(c2ccc([O-])cc2)(c2ccc([O-])cc2)c2ccccc21.[Na+].[Na+]- InChIKey
GCZXTTJWUAJLNQ-UHFFFAOYSA-L- Molecular formula
- C20H12Na2O4
- Average molar mass
- 362.3 g/mol
- Monoisotopic mass
- 362.05309742
Names & identifiers
- Preferred name
- 1(3h)-isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt
- IUPAC
- disodium;4-[1-(4-oxidophenyl)-3-oxo-2-benzofuran-1-yl]phenolate
- English name
- PHENOLPHTHALEIN DISODIUM SALT
- Molecular formula
- C20H15NaO4
- Molecular weight
- 342.33
Names & synonyms
1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium saltDTXSID3060162RefChem:211682DTXCID9041075Phenolphthalein (disodium)Sodium 4,4'-(3-oxo-1,3-dihydroisobenzofuran-1,1-diyl)diphenolatedisodium;4-[1-(4-oxidophenyl)-3-oxo-2-benzofuran-1-yl]phenolatePhenolphthalein Disodium Salt (>90%)disodium 4,4'-(3-oxo-1,3-dihydro-2-benzofuran-1,1-diyl)diphenolateSCHEMBL951289orb2663972GCZXTTJWUAJLNQ-UHFFFAOYSA-L
Show more names
diphenolatephenolphthalein sodiumPHENOLPHTHALEIN NA SALTQuetiapine Impurity 28-d8DISODIUM PHENOLPHTHALEINATEPHENOLPHTHALEIN SODIUM SALTPHENOLPHTHALEIN DISODIUM SALTPhenolththalein disodium saltPhenolphthalein (disodium), 95%Phenolphthalein (disodium), 95%
Phenolphthalein disodium salt (Water soluble)D91897T89566disodium;4-[1-(4-oxidophenyl)-3-oxo-isobenzofuran-1-yl]phenolate
Database identifiers
- CAS
518-51-4- PubChem CID
- 68206
- DTXSID
DTXSID3060162- Nikkaji
- J182.276D
Properties
Computed structural properties
- Topological polar surface area
- 72.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 438
Physicochemical properties
- Melting point
- 250 °C · >250°C
- storage temp.
- Amber Vial, Refrigerator, Under inert atmosphere
- solubility
- Solubility Soluble in water, ethanol
- form
- Powder
- pka
- 9.1 · 9.1(at 25℃)
- color
- Dark purple to dark brown
- PH Range
- Colorless (8.0) to pink (10.0)
- λmax
- 553 nm · 553nm
- Stability
- Hygroscopic, Light Sensitive
- Major Application
- Inks, fire-resistant polymers, permanent hair straightener
- InChI
- InChI=1S/C7H16O9S3/c1-17(8,9)14-5-4-7(16-19(3,12)13)6-15-18(2,10)11/h7H,4-6H2,1-3H3
- InChIKey
- HAWFSFZXNWBZRU-UHFFFAOYSA-L
- SMILES
- [Na+].[Na+].[O-]c1ccc(cc1)C(=C3C=CC(=O)C=C3)c2c(cccc2)C(=O)[O-]
- FDA UNII
- 0 O2930VH · PV0O2930VH
- EPA Substance Registry System
- 1 · 1(3H)-Isobenzofuranone, 3,3-bis(4-hydroxyphenyl)-, disodium salt (518-51-4)
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
- WGK 3
- tsca
- TSCA listed
- hs_code
- 29322985
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS08,GHS07
- safety_code
- 24/25
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Carc. 1BMuta. 2Repr. 2Skin Irrit. 2
- Precautionary statements
- P280-P271-P261-P264-P304-P340-P312-P302-P352-P362-2-P363-P332-P313-P305-P351-P338-P337-P405-P501
Chemistry & industry
Applications
UsesPhenolphthalein (disodium), 95% is a pH indicator.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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