[bis(trimethylsilyl)methyl]trimethylsilane

• ChemBase ID: 149269
• Molecular Formular: C10H28Si3
• Molecular Mass: 232.58582
• Monoisotopic Mass: 232.14988049
• SMILES: C[Si](C)(C)C([Si](C)(C)C)[Si](C)(C)C
• Canonical SMILES: C[Si](C([Si](C)(C)C)[Si](C)(C)C)(C)C
• InChI: InChI=1S/C10H28Si3/c1-11(2,3)10(12(4,5)6)13(7,8)9/h10H,1-9H3
• InChIKey: BNZSPXKCIAAEJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [bis(trimethylsilyl)methyl]trimethylsilane
• IUPAC Traditional name: [bis(trimethylsilyl)methyl]trimethylsilane
• Synonyms: Tris(trimethylsilyl)methane; 三(三甲代甲硅烷基)甲烷

Database IDs

• CAS Number: 1068-69-5
• MDL Number: MFCD00008273
• Beilstein Number: 1850371
• PubChem SID: 162243437; 24858266
• PubChem CID: 612377

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 6.8939
• LogD (pH = 7.4): 6.8939
• Log P: 6.8939
• Molar Refractivity: 53.3456 cm^3
• Polarizability: 27.95434 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 55-56 °C/2 mmHg(lit.)
• Flash Point: 168.8 °F; 76 °C
• Density: 0.827 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.464; n20/D 1.464(lit.)

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: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 97%
• Grade: purum
• Linear Formula: [(CH3)3Si]3CH

DETAILS

Sigma Aldrich - 302600

Packaging
5 g in glass bottle
Application
Sterically demanding "risyl"group.1

Sigma Aldrich - 93399

Other Notes
The lithium derivative is used to introduce a sterically demanding substituent in various compounds1,2,3; Prep. of Grignard reagent4