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| CAS No.: | 512-63-0 |
|---|---|
| Name: | Hexaphenylcyclotrisiloxane |
| Article Data: | 47 |
| Molecular Structure: | |
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|
|
| Formula: | C36H30O3Si3 |
| Molecular Weight: | 594.889 |
| Synonyms: | Cyclotrisiloxane,hexaphenyl- (6CI,7CI,8CI,9CI);2,2,4,4,6,6-Hexaphenylcyclotrisiloxane;Diphenylsiloxane cyclic trimer;NSC 127080; |
| EINECS: | 208-145-3 |
| Density: | 1.2 g/cm3 |
| Melting Point: | 184-188 °C(lit.) |
| Boiling Point: | 593.3 °C at 760 mmHg |
| Flash Point: | 251.5 °C |
| Solubility: | Insoluble in water |
| Appearance: | White powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 27.69000 |
| LogP: | 3.81960 |
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Specification
The Hexaphenylcyclotrisiloxane, with CAS registry number 512-63-0, belongs to the following product categories: (1)Si (Classes of Silicon Compounds); (2)Siloxanes; (3)Si-O Compounds; (4)Organometallic Reagents; (5)Organosilicon. Its systematic name and its IUPAC name is the same, which is 2,2,4,4,6,6-hexaphenyl-1,3,5,2,4,6-trioxatrisilinane. This chemical is a kind of white powder. What's more, its EINECS is 208-145-3.
Physical properties of Hexaphenylcyclotrisiloxane: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 6; (4)Polar Surface Area: 27.69 Å2; (5)Index of Refraction: 1.651; (6)Molar Refractivity: 179.76 cm3; (7)Molar Volume: 491.9 cm3; (8)Polarizability: 71.26×10-24cm3; (9)Surface Tension: 46.4 dyne/cm; (10)Enthalpy of Vaporization: 85.19 kJ/mol; (11)Vapour Pressure: 2.02E-13 mmHg at 25°C.
Preparation: this chemical can be prepared by diphenylsilanediol. This reaction will need reagent H2SO4 and solvent ethyl acetate. The reaction time is 96 hour(s). The yield is about 90%.
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Uses of Hexaphenylcyclotrisiloxane: it can be used to produce butyl-diphenyl-silanol. This reaction will need solvent toluene. The reaction time is 1.5 hour(s) with reaction temperature of 110 ℃. The yield is about 91%.
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When you are using this chemical, please be cautious about it as the following:
The TriHexaphenylcyclotrisiloxane irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: O1[Si](O[Si](O[Si]1(c2ccccc2)c3ccccc3)(c4ccccc4)c5ccccc5)(c6ccccc6)c7ccccc7
(2)InChI: InChI=1/C36H30O3Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32)37-41(33-23-11-3-12-24-33,34-25-13-4-14-26-34)39-42(38-40,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
(3)InChIKey: VCYDUTCMKSROID-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C36H30O3Si3/c1-7-19-31(20-8-1)40(32-21-9-2-10-22-32)37-41(33-23-11-3-12-24-33,34-25-13-4-14-26-34)39-42(38-40,35-27-15-5-16-28-35)36-29-17-6-18-30-36/h1-30H
(5)Std. InChIKey: VCYDUTCMKSROID-UHFFFAOYSA-N