1H-Isoindol-1-one, 2,3-dihydro-3,3-bis(4-hydroxyphenyl)-2-phenyl-
Basic information
- CAS
6607-41-6- Standard SMILES
O=C1c2ccccc2C(c2ccc(O)cc2)(c2ccc(O)cc2)N1c1ccccc1- InChIKey
YBLBHSSRHHJKEK-UHFFFAOYSA-N- Molecular formula
- C26H19NO3
- Average molar mass
- 393.4 g/mol
- Monoisotopic mass
- 393.13649347
Names & identifiers
- Preferred name
- 1H-Isoindol-1-one, 2,3-dihydro-3,3-bis(4-hydroxyphenyl)-2-phenyl-
- IUPAC
- 3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-one
- English name
- Phenolphthalein anilide
- Molecular formula
- C26H19NO3
- Molecular weight
- 393.43
Names & synonyms
2,3-dihydro-3,3-bis(4-hydroxyphenyl)-2-phenyl-1h-isoindol-1-one1H-Isoindol-1-one, 2,3-dihydro-3,3-bis(4-hydroxyphenyl)-2-phenyl-RefChem:438784455-890-7613-892-7Phenolphthalein anilide6607-41-63,3-bis(4-hydroxyphenyl)-2-phenylisoindolin-1-one3,3-bis(4-hydroxyphenyl)-2-phenylisoindol-1-oneMFCD003448433,3-bis(4-hydroxyphenyl)-2-phenyl-2,3-dihydro-1H-isoindol-1-one2-Phenyl-3,3-bis(4-hydroxyphenyl)phthalimidine
Show more names
DK8583,3-Bis(4-hydroxyphenyl)-2-phenyl-1-isoindolinonePPPBP / 2-PHENYL-3,3-BIS(4-HYDROXY PHE NYL)PHTHALIMIDE
C26H19NO3PhenolphthaleinanilideZL3YBC3QFGSCHEMBL491038CHEMBL5026136SCHEMBL29365772BDBM176756DTXSID701019794
Database identifiers
- CAS
6607-41-6- PubChem CID
- 2832097
- DTXSID
DTXSID701019794- ChEMBL
CHEMBL5026136- UNII
- ZL3YBC3QFG
- EC Number
- 455-890-7、613-892-7
- Nikkaji
- J853.916B
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 577
Experimental & physicochemical properties
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical DescriptionDry Powder
Physicochemical properties
- Melting point
- 280 °C · 280 °C
- Boiling point
- 610.2 · 610.2±55.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- vapor pressure
- 0 Pa · 0Pa at 25℃
- pka
- 9.39 · 9.39±0.30(Predicted)
- Water Solubility
- 220 μg/L · 220μg/L at 23.8℃
- LogP
- 3.8 at · 3.8 at 25℃
- Hazard statements
- 413 · H413
- TSCA
- TSCA listed
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (1 of 2) of reports.
H413 (50%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
P273, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Regulation (EC) No 1935/2004 (amended)
1H-Isoindol-1-one, 2,3-dihydro-3,3-bis(4-hydroxyphenyl)-2-phenyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1H-Isoindol-1-one, 2,3-dihydro-3,3-bis(4-hydroxyphenyl)-2-phenyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 1H-Isoindol-1-one, 2,3-dihydro-3,3-bis(4-hydroxyphenyl)-2-phenyl- (EC: 455-890-7)
Hazard Classes and CategoriesAquatic Chronic 4 (50%)
Safety data
- tsca
- TSCA listed
- Hazard statements
- H413
- REACH Registrations
- Active
Chemistry & industry
Uses & manufacturing
U.S. Production2021: 40,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
General Manufacturing Information1H-Isoindol-1-one, 2,3-dihydro-3,3-bis(4-hydroxyphenyl)-2-phenyl-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…