Name: Octaphenylsilsesquioxane
SKU: 5256-79-1

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Basic Information

Molecular Structure:
CAS No.:	5256-79-1
Name:	Octaphenylsilsesquioxane
Article Data:	18

Formula:	C₄₈H₄₀O₁₂Si₈
Molecular Weight:	1033.52
Synonyms:	Octasilsesquioxane,octaphenyl- (6CI);Pentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane, octaphenyl-(7CI,8CI,9CI);1,3,5,7,9,11,13,15-Octaphenylpentacyclo[9.5.1.13,9.15,15.17,13]octasiloxane;MS0840;Molecular Silicas MS 0840;OctaPhenyl POSS;Octaphenylhexacyclooctasiloxane;Octaphenylsilsesquioxane;Phenyl-T8;
Density:	1.35g/cm³
Melting Point:	>350 ºC
Boiling Point:	41.5°Cat760mmHg
PSA:	110.76000
LogP:	3.02240

Synthetic route

: 2996-92-1
phenyl trimethylsiloxane

: 5256-79-1
octaphenylsilsesquioxane

Conditions

Conditions	Yield
With potassium hydroxide In water; acetone at 65℃; for 24h;	95.43%
Stage #1: phenyl trimethylsiloxane With hydrogenchloride; water In toluene for 2h; Stage #2: With potassium fluoride; 18-crown-6 ether In toluene Reflux; Removal of water;	72%

: C24H24O8Si4

: 5256-79-1
octaphenylsilsesquioxane

Conditions

Conditions	Yield
With N-benzyl-trimethylammonium hydroxide In methanol; benzene at 20℃; for 12h; Inert atmosphere;	95%

: 780-69-8
triethoxyphenylsilane

: 5256-79-1
octaphenylsilsesquioxane

Conditions

Conditions	Yield
With water; sodium hydroxide In toluene at 110℃; for 72h; Inert atmosphere;	81%
With sodium hydroxide In water; toluene at 110℃; for 72h; Inert atmosphere;	81%

: 98-13-5
Phenyltrichlorosilane

: 5256-79-1
octaphenylsilsesquioxane

Conditions

Conditions	Yield
With base Amberlite IRA 400 In ethanol	74%
Hydrolysis.und anschliessenden Umsetzung mit aethanol.KOH in Benzol;
With hydrogenchloride
With water; N-benzyl-trimethylammonium hydroxide

: 154354-98-0
2,4,6,8,10,12-hexahydroxy-2,4,6,8,10,12-hexaphenylcyclohexasiloxane

A: 5256-79-1
octaphenylsilsesquioxane

B: C72H60O18Si12

Conditions

Conditions	Yield
With triethylamine In acetone for 48h; Reflux;	A 65.8% B 9.5%

: C72H72O24Si12

A: 5256-79-1
octaphenylsilsesquioxane

B: C72H60O18Si12

Conditions

Conditions	Yield
With N-butylamine In acetone for 48h; Reflux;	A 5.9% B 55.7%

: 780-69-8
triethoxyphenylsilane

A: C72H60O18Si12

B: 5256-79-1
octaphenylsilsesquioxane

C: 18851-18-8
deca(phenyl)silsesquioxane

Conditions

Conditions	Yield
With tetrabutyl ammonium fluoride In dichloromethane; water for 48 - 72h; Mechanism; Inert atmosphere;	A n/a B n/a C 49%

...Expand

: 694-53-1
phenylsilane

: 5256-79-1
octaphenylsilsesquioxane

Conditions

Conditions	Yield
With caesium carbonate; N,N-dimethyl-formamide; trimethylamine at 20℃; for 24h; Catalytic behavior; Reagent/catalyst; Temperature; Schlenk technique;	39%

: 3450-18-8
tetraphenyltetrahydroxycyclotetrasiloxane

A: 5256-79-1
octaphenylsilsesquioxane

B: C72H60O18Si12

Conditions

Conditions	Yield
With triethylamine In acetone for 48h; Reagent/catalyst; Reflux;	A 36.8% B 19.6%

: 3047-74-3
phenylsilanetriol

A: 5256-79-1
octaphenylsilsesquioxane

B: C72H60O18Si12

Conditions

Conditions	Yield
With N-butylamine In acetone for 48h; Reflux;	A 32.8% B 9.4%

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Specification

The Octaphenylsilsesquioxane with cas registry number of 5256-79-1, whose systematic name is 1,3,5,7,9,11,13,15-octaphenylpentacyclo[9.5.1.1~3,9~.1~5,15~.1~7,13~]octasiloxane. And it is also named 1,3,5,7,9,11,13,15-Octaphenylpentacyclo[9.5.1.1~3,9~.1~5,15~.1~7,13~]octasiloxan.

Physical properties about this chemical are: (1)#H bond acceptors: 12; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 8; (4)Polar Surface Area: 110.76 Å²; (5)Index of Refraction: 1.658; (6)Molar Refractivity: 280.48 cm³; (7)Molar Volume: 761 cm³; (8)Polarizability: 111.19×10^-24cm³; (9)Surface Tension: 47.4 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES:O1[Si]9(O[Si]4(O[Si]6(O[Si](O[Si]2(O[Si](O[Si](O[Si]1(O2)c3ccccc3)(O4)c5ccccc5)(O6)c7ccccc7)c8ccccc8)(O9)c%10ccccc%10)c%11ccccc%11)c%12ccccc%12)c%13ccccc%13;
(2)InChI:InChI=1/C48H40O12Si8/c1-9-25-41(26-10-1)61-49-62(42-27-11-2-12-28-42)52-65(45-33-17-5-18-34-45)54-63(50-61,43-29-13-3-14-30-43)56-67(47-37-21-7-22-38-47)57-64(51-61,44-31-15-4-16-32-44)55-66(53-62,46-35-19-6-20-36-46)59-68(58-65,60-67)48-39-23-8-24-40-48/h1-40H;
(3)InChIKey:KBXJHRABGYYAFC-UHFFFAOYAQ;
(4)Std. InChI:InChI=1S/C48H40O12Si8/c1-9-25-41(26-10-1)61-49-62(42-27-11-2-12-28-42)52-65(45-33-17-5-18-34-45)54-63(50-61,43-29-13-3-14-30-43)56-67(47-37-21-7-22-38-47)57-64(51-61,44-31-15-4-16-32-44)55-66(53-62,46-35-19-6-20-36-46)59-68(58-65,60-67)48-39-23-8-24-40-48/h1-40H ;
(5)Std. InChIKey:KBXJHRABGYYAFC-UHFFFAOYSA-N

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