hexaphenyl-1,3,5,2,4,6-trioxatrisilinane

• ChemBase ID: 151106
• Molecular Formular: C36H30O3Si3
• Molecular Mass: 594.8781
• Monoisotopic Mass: 594.15027442
• SMILES: c1ccc(cc1)[Si]1(O[Si](O[Si](O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)[Si]1(O[Si](O[Si](O1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
• 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
• InChIKey: VCYDUTCMKSROID-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: hexaphenyl-1,3,5,2,4,6-trioxatrisilinane
• IUPAC Traditional name: hexaphenyl-1,3,5,2,4,6-trioxatrisilinane
• Synonyms: Hexaphenylcyclotrisiloxane; 六苯基环三硅氧烷

Database IDs

• CAS Number: 512-63-0
• EC Number: 208-145-3
• MDL Number: MFCD00023110
• Beilstein Number: 2957773
• PubChem SID: 24871872; 162245264
• PubChem CID: 68187

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 11.8278
• LogD (pH = 7.4): 11.8278
• Log P: 11.8278
• Molar Refractivity: 156.8964 cm^3
• Polarizability: 68.468094 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 184-188 °C(lit.); ca 175-185°C
• Boiling Point: 300 °C/1 mmHg(lit.); 300°C/1mm

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98+%
• Empirical Formula (Hill Notation): C36H30O3Si3

DETAILS

Sigma Aldrich - 483168

Other Notes
Contains other phenylcyclosiloxanes
Packaging
5 g in glass bottle