methyl[(methyldiphenylsilyl)oxy]diphenylsilane

• ChemBase ID: 156211
• Molecular Formular: C26H26OSi2
• Molecular Mass: 410.65504
• Monoisotopic Mass: 410.15221852
• SMILES: C[Si](c1ccccc1)(c1ccccc1)O[Si](C)(c1ccccc1)c1ccccc1
• Canonical SMILES: C[Si](c1ccccc1)(c1ccccc1)O[Si](c1ccccc1)(c1ccccc1)C
• InChI: InChI=1S/C26H26OSi2/c1-28(23-15-7-3-8-16-23,24-17-9-4-10-18-24)27-29(2,25-19-11-5-12-20-25)26-21-13-6-14-22-26/h3-22H,1-2H3
• InChIKey: RFGGTTPASBFBTB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl[(methyldiphenylsilyl)oxy]diphenylsilane
• IUPAC Traditional name: methyl[(methyldiphenylsilyl)oxy]diphenylsilane
• Synonyms: 1,3-Dimethyl-1,1,3,3-tetraphenyldisiloxane; 1,3-二甲基-1,1,3,3-四苯基二硅氧烷

Database IDs

• CAS Number: 807-28-3
• EC Number: 212-361-3
• MDL Number: MFCD00053660
• Beilstein Number: 2952535
• PubChem SID: 162250349
• PubChem CID: 13121

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 9.3322
• LogD (pH = 7.4): 9.3322
• Log P: 9.3322
• Molar Refractivity: 114.8076 cm^3
• Polarizability: 49.44423 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 46-49 °C
• Flash Point: 193 °C; 379.4 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• 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: ≥97.0% (GC)
• Empirical Formula (Hill Notation): C26H26OSi2