9,9-Bis(4 hydroxyphenyl)fluorene CAS#: 3236-71-3; ChemWhat Code: 71658
Identifiers
Product Name | 9,9-Bis(4 hydroxyphenyl)fluorene |
IUPAC Name | 4-[9-(4-hydroxyphenyl)fluoren-9-yl]phenol |
Molecular Structure | |
CAS Registry Number | 3236-71-3 |
Synonyms | 9,9-bis(4-hydroxyphenyl)fluorene, 9,9-bis(p-hydroxyphenyl)fluorene, 9,9-Bis(4-hydroxyphenyl)fluorene |
Molecular Formula | C25H18O2 |
Molecular Weight | 350.41 |
InChI | InChI=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 Key | YWFPGFJLYRKYJZ-UHFFFAOYSA-N |
Canonical SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3C2(C4=CC=C(C=C4)O)C5=CC=C(C=C5)O |
Physical Properties
Appearance | Off-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 | 1H | chloroform-d1 | 400 | |
Chemical shifts | 13C | chloroform-d1 | 101 | |
Chemical shifts | 1H | dimethylsulfoxide-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 (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) |
Spectrum | ethanol |
Route of Synthesis (ROS)
Conditions | Yield |
With hydrogenchloride In Zinc chloride; water; isopropyl alcohol | 97% |
With sulfuric acid; 3-mercaptopropionic acid In dichloromethane at 20 – 40℃ for 6h | 92.5% |
With 3-mercaptopropionic acid In chlorobenzene for 5h Reagent/catalyst Reflux | 92.8% |
With N-(3-sulfopropyl)-2-mercaptobenzothiazole p-toluenesulfonate at 110℃ for 3h Reagent/catalyst Green chemistry | 91% |
With C10H12NO3S2(1+)*HO4S(1-) at 90℃ for 6h | 89% |
With silica-gel-supported sulfuric acid; 3-mercaptopropionic acid In toluene at 30 – 45℃ for 3.5h Inert atmosphere | 85% |
With methanesulfonic acid; 3-mercaptopropionic acid In toluene at 40℃ for 13h Inert atmosphere | 85% |
With cationic ion-exchange resin | 83% |
With phosphorus pentoxide at 150℃ |
Safety and Hazards
Pictogram(s) | |
Signal | Warning |
GHS Hazard Statements | H315: 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 Codes | P264, 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
Transportation | Under the room temperature and away from light |
HS Code | 290621 |
Storage | Under the room temperature and away from light |
Shelf Life | 2 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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Approved Manufacturers | |
Warshel Chemical Ltd | http://www.warshel.com/ |
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