9,9-Bis(4 hydroxyphenyl)fluorene CAS#: 3236-71-3; ChemWhat Code: 71658

IdentificationPhysical DataSpectra
Route of SynthesisSafety and HazardsOther Data

Identifiers

Product Name9,9-Bis(4 hydroxyphenyl)fluorene
IUPAC Name4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol
Molecular Structure99-Bis4-hydroxyphenylfluorene-CAS-3236-71-3
CAS Registry Number 3236-71-3
Synonyms9,9-bis(4-hydroxyphenyl)fluorene, 9,9-bis(p-hydroxyphenyl)fluorene, 9,9-Bis(4-hydroxyphenyl)fluorene
Molecular FormulaC25H18O2
Molecular Weight350.41
InChIInChI=1S/C25H18O2/c26-19-13-9-17(10-14-19)25(18-11-15-20(27)16-12-18)23-7-3-1-5-21(23)22-6-2-4-8-24(22)25/h1-16,26-27H
InChI KeyYWFPGFJLYRKYJZ-UHFFFAOYSA-N
Canonical SMILESC1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O
Patent Information
Patent IDTitlePublication Date
WO2018/57056HOMOGENEOUS AMORPHOUS HIGH HEAT EPOXY BLENDS, ARTICLES, AND USES THEREOF2018
CN108863728A 9, 9 – di (4 – hydroxyaryl) fluorene compound of preparation method (by machine translation)2018
JP2017/36249Compound and method of manufacturing the mixed (by machine translation)2017

US2017/184968
COMPOUND FOR FORMING ORGANIC FILM, COMPOSITION FOR FORMING ORGANIC FILM, METHOD FOR FORMING ORGANIC FILM, AND PATTERNING PROCESS2017
US2016/376463(METH)ACRYLIC RESIN COMPOSITION, FILM, POLARIZING PLATE PROTECTIVE FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE2016
US2016/46551VINYL-GROUP-CONTAINING FLUORENE COMPOUND2016
US2014/179836EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, METHOD OF PREPARING THE SAME, COMPOSITION AND CURED PRODUCT COMPRISING THE SAME, AND USES THEREOF 2014
EP2767535EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, METHOD FOR PREPARING SAME, COMPOSITION AND CURED MATERIAL COMPRISING SAME, AND USAGE THEREOF 2014
US2015/148452COMPOSITION AND CURED ARTICLE COMPRISING INORGANIC PARTICLES AND EPOXY COMPOUND HAVING ALKOXYSILYL GROUP, USE FOR SAME, AND PRODUCTION METHOD FOR EPOXY COMPOUND HAVING ALKOXYSILYL GROUP 2015

Physical Properties

AppearanceOff-white to white Powder
Index of Refraction 1.711
Melting Point, °C Solvent (Melting Point)
224.2 – 225.5 methanol
223 – 225
115
227 – 227.5 benzene
228 – 229
Density, g·cm-3 Measurement Temperature, °C
1.289 -140.16

Description (Crystal Phase) Temperature (Crystal Phase), °C
Crystal structure determination -140.16

Spectra

Description (NMR Spectroscopy) Nucleus (NMR Spectroscopy) Solvents (NMR Spectroscopy) Frequency (NMR Spectroscopy), MHz Original Text (NMR Spectroscopy)
Chemical shifts 1Hchloroform-d1 400
Chemical shifts 13C chloroform-d1 101
Chemical shifts 1Hdimethylsulfoxide-d6
Chemical shifts 1H dimethylsulfoxide-d6


300‘H NMR (300 MHz, DMSO) ö 8.46 (s, 1H), 8.01-7.89 (m, 4H), 7.86-7.67 (m, 18H), 7.66-7.53 (m, 3H), 7.53-7.38 (m, 3H), 7.33 (t, J=7.9 Hz, 2H), 7.29-7.19 (m, 2H),7.12-6.93 (m, 4H), 6.83 (d, J=8.3 Hz, 1H).
Chemical shifts 1H chloroform-d1 600
Chemical shifts 13C CDCl3 75
Chemical shifts CDCl3 300
Spectrum 1H chloroform-d1 400
Spectrum 1H tetradeuteriomethanol 400
Description (IR Spectroscopy) Solvent (IR Spectroscopy)
Bands potassium bromide
Spectrum potassium bromide
Bands KBr
9,9-Bis(4 hydroxyphenyl)fluorene CAS 3236-71-3 Raman9,9-Bis(4 hydroxyphenyl)fluorene CAS 3236-71-3 Raman
9,9-Bis(4 hydroxyphenyl)fluorene CAS 3236-71-3 IR9,9-Bis(4 hydroxyphenyl)fluorene CAS 3236-71-3 IR
9,9-Bis(4 hydroxyphenyl)fluorene CAS 3236-71-3 HPLC9,9-Bis(4 hydroxyphenyl)fluorene CAS 3236-71-3 HPLC
Description (UV/VIS Spectroscopy) Solvent (UV/VIS Spectroscopy)
Spectrum ethanol

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 9,9-Bis(4 hydroxyphenyl)fluorene CAS 3236-71-3
Route of Synthesis (ROS) of 9,9-Bis(4 hydroxyphenyl)fluorene CAS 3236-71-3
Conditions Yield
With hydrogenchloride In Zinc chloride; water; isopropyl alcohol97%
With sulfuric acid; 3-mercaptopropionic acid In dichloromethane at 20 – 40℃ for 6h92.5%
With 3-mercaptopropionic acid In chlorobenzene for 5h Reagent/catalyst Reflux92.8%
With N-(3-sulfopropyl)-2-mercaptobenzothiazole p-toluenesulfonate at 110℃ for 3h Reagent/catalyst Green chemistry91%
With C10H12NO3S2(1+)*HO4S(1-) at 90℃ for 6h89%
With silica-gel-supported sulfuric acid; 3-mercaptopropionic acid In toluene at 30 – 45℃ for 3.5h Inert atmosphere85%
With methanesulfonic acid; 3-mercaptopropionic acid In toluene at 40℃ for 13h Inert atmosphere85%
With cationic ion-exchange resin83%
With phosphorus pentoxide at 150℃

Safety and Hazards

Pictogram(s)exclamation-markenvironment
SignalWarning
GHS Hazard StatementsH315: Causes skin irritation [Warning Skin corrosion/irritation]
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement CodesP264, P273, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362, P391, and P501
(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationUnder the room temperature and away from light
HS Code290621
StorageUnder the room temperature and away from light
Shelf Life2 years
Market Price USD 70/kg

Use Pattern

9,9-Bis(4 hydroxyphenyl)fluorene CAS#: 3236-71-3 is used in the synthesis of novel poly(arylene ethers).
9,9-Bis(4 hydroxyphenyl)fluorene CAS#: 3236-71-3 is a monomer and modifier of functional polymer materials.
It is a bisphenol compound containing a Cardo ring skeleton structure.
It is a synthetic fluorenyl epoxy resin, a mercapto benzoxazine resin, and an acrylate resin.
An important monomer or modifier for polycondensation products such as polyester resins, polycarbonates, epoxies, polyesters or polyethers.

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