1,1,1,3,3,3-hexamethyl-2,2-bis(trimethylsilyl)trisilane

• ChemBase ID: 152304
• Molecular Formular: C12H36Si5
• Molecular Mass: 320.84174
• Monoisotopic Mass: 320.16633381
• SMILES: C[Si](C)(C)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Canonical SMILES: C[Si]([Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C)(C)C
• InChI: InChI=1S/C12H36Si5/c1-13(2,3)17(14(4,5)6,15(7,8)9)16(10,11)12/h1-12H3
• InChIKey: BOJSDHZZKKYWAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,3,3,3-hexamethyl-2,2-bis(trimethylsilyl)trisilane
• IUPAC Traditional name: 1,1,1,3,3,3-hexamethyl-2,2-bis(trimethylsilyl)trisilane
• Synonyms: 2,2-Bis(trimethylsilyl)-1,1,1,3,3,3-hexamethyl-trisilane; Tetrakis(trimethylsilyl)silane; 2,2-双(三甲基硅基)-1,1,1,3,3,3-六甲基-三硅烷; 四(三甲基硅基)硅烷; 四(三甲基硅氧基)硅烷

Database IDs

• CAS Number: 4098-98-0
• MDL Number: MFCD00054859
• Beilstein Number: 1860786
• PubChem SID: 162246449; 24888925
• PubChem CID: 138115

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 5.0572
• LogD (pH = 7.4): 5.0572
• Log P: 5.0572
• Molar Refractivity: 69.3612 cm^3
• Polarizability: 37.49571 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: ≥300 °C; ≥300 °C(lit.); 266-268°C subl.

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0%; 98%
• Linear Formula: [(CH3)3Si]4Si

DETAILS

Sigma Aldrich - 87642

Other Notes
Starting material for the synthesis of tris(trimethylsilyl)silyl lithium with methyl lithium1; Preparation of lithium bis[(TMS)3silyl]cuprate2
Packaging
5 g in glass bottle