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CAS No.: | 1499-10-1 |
---|---|
Name: | 9,10-Diphenylanthracene |
Article Data: | 138 |
Molecular Structure: | |
Formula: | C26H18 |
Molecular Weight: | 330.429 |
Synonyms: | Cyalume Blue;DPA;NSC 24861; |
EINECS: | 216-105-1 |
Density: | 1.146 g/cm3 |
Melting Point: | 245-248 °C(lit.) |
Boiling Point: | 469.134 °C at 760 mmHg |
Flash Point: | 234.745 °C |
Solubility: | insoluble in water |
Appearance: | slightly yellow powder |
Hazard Symbols: | Xi |
Risk Codes: | 36/37/38 |
Safety: | 22-24/25-36/37-26 |
PSA: | 0.00000 |
LogP: | 7.32700 |
Conditions | Yield |
---|---|
With potassium phosphate; dichloro{bis[1-(dicyclohexylphosphanyl)piperidine]}palladium(II) In toluene at 80℃; for 0.0833333h; Suzuki-Miyaura cross-coupling reaction; Air; | 97% |
With potassium carbonate In methanol at 80℃; for 0.5h; Suzuki-Miyaura Coupling; Schlenk technique; Inert atmosphere; | 97% |
With potassium phosphate In ethanol at 80℃; for 2h; Suzuki-Miyaura Coupling; Schlenk technique; Inert atmosphere; | 97% |
Conditions | Yield |
---|---|
With [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene](3-chloropyridyl)palladium(ll) dichloride In 1,4-dioxane; diethyl ether at 20℃; for 24h; Kumada-Corriu cross-coupling reaction; Inert atmosphere; | 95% |
With methylmagnesium bromide; triethylamine; nickel dichloride In tetrahydrofuran; methanol; ethanol; toluene | 80.4% |
With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In tetrahydrofuran at 25 - 35℃; Inert atmosphere; Cooling with ice; | 68.49% |
Conditions | Yield |
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In toluene for 24h; | A 95% B 37% |
(9s,10s)-9,10-diphenyl-9,10-dihydro-9,10-epoxyanthracene
9,10-diphenylanthracene
Conditions | Yield |
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With triethylsilane; trifluoroacetic acid In dichloromethane at 20℃; for 0.5h; Inert atmosphere; Sealed tube; | 94% |
With isopropylmagnesium bromide In tetrahydrofuran for 2h; Heating; | 52% |
With acetic acid; zinc | |
With zinc In acetic acid for 10h; Heating; Yield given; |
Conditions | Yield |
---|---|
Pd(PPh3)4 In tetrahydrofuran; chlorobenzene | 87.8% |
Conditions | Yield |
---|---|
With titanium tetrachloride; triethylamine In dichloromethane at 0 - 25℃; for 0.5h; Inert atmosphere; | 82% |
With formic acid; sodium formate | |
With acetic acid; potassium iodide |
Conditions | Yield |
---|---|
Pd(PPh3)2Cl2 In tetrahydrofuran | 81.7% |
Pd(PPh3)2Cl2 In tetrahydrofuran | 73.8% |
Conditions | Yield |
---|---|
Ni(dppe)Cl2 In tetrahydrofuran | 81.7% |
Ni(AcaC)2 In tetrahydrofuran | 75.9% |
Conditions | Yield |
---|---|
In tetrahydrofuran | 81.4% |
Conditions | Yield |
---|---|
With 1,3-bis[(diphenylphosphino)propane]dichloronickel(II) In tetrahydrofuran at 25 - 35℃; Inert atmosphere; Cooling with ice; | 75.45% |
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The IUPAC name of 9,10-Diphenylanthracene is 9,10-diphenylanthracene. With the CAS registry number 1499-10-1, it is also named as Anthracene, 9,10-diphenyl-. The product's categories are Industrial / Fine Chemicals; Scintillators; Anthracenes; Electroluminescence; Functional Materials; Photoluminescent Materials; Light-Emitting Dopants and Fluorescent Dyes; Photonic and Optical Materials; DIO - DIZ Chemical Class; Alpha Sort; Analytical Standards; Aromatics Volatiles / Semivolatiles; Chemical Class; D; D Alphabetic; Hydrocarbons; Neats Analytical Standards; PAHs, and the other registry number is 65166-75-8. Besides, it is slightly yellow powder, which should be stored in tightly sealed containers in a cool, dry place. And you should ensure that the workplaces have good ventilated or exhaust devices. In addition, its molecular formula is C26H18 and molecular weight is 330.43.
The other characteristics of this product can be summarized as: (1)EINECS: 216-105-1; (2)ACD/LogP: 8.46; (3)# of Rule of 5 Violations: 1; (4)ACD/LogD (pH 5.5): 8.46; (5)ACD/LogD (pH 7.4): 8.46; (6)ACD/BCF (pH 5.5): 1000000; (7)ACD/BCF (pH 7.4): 1000000; (8)ACD/KOC (pH 5.5): 953322.688; (9)ACD/KOC (pH 7.4): 953322.688; (10)#H bond acceptors: 0; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.698; (14)Molar Refractivity: 111.122 cm3; (15)Molar Volume: 288.234 cm3; (16)Surface Tension: 48.759 dyne/cm; (17)Density: 1.146 g/cm3; (18)Flash Point: 234.745 °C; (19)Melting Point: 245-248 °C; (20)Enthalpy of Vaporization: 70.347 kJ/mol; (21)Boiling Point: 469.134 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
Preparation of 9,10-Diphenylanthracene: this chemical can be prepared by 9,10-Diphenyl-9,10-dihydro-9,10-epoxido-anthracene.
This reaction needs iPrMgBr and Tetrahydrofuran by heating for 2 hours. The yield is 52 %.
Uses of 9,10-Diphenylanthracene: this chemical can be used as a sensitiser in chemoluminescence. In lightsticks, it is used to produce blue light. Additionally, it can be used to produce 9,10-Difluoro-9,10-diphenyl-9,10-dihydro-anthracene.
This reaction needs TBAF and Acetonitrile by electrolysis. The yield is 80 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing and gloves to avoid contact with skin and eyes. Moreover, please not breathe dust.
People can use the following data to convert to the molecule structure.
(1)SMILES: c1ccc(cc1)c2c3ccccc3c(c4c2cccc4)c5ccccc5
(2)InChI: InChI=1/C26H18/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H
(3)InChIKey: FCNCGHJSNVOIKE-UHFFFAOYAL