tert-butyldimethylsilane

• ChemBase ID: 148687
• Molecular Formular: C6H16Si
• Molecular Mass: 116.27674
• Monoisotopic Mass: 116.10212704
• SMILES: CC(C)(C)[SiH](C)C
• Canonical SMILES: C[SiH](C(C)(C)C)C
• InChI: InChI=1S/C6H16Si/c1-6(2,3)7(4)5/h7H,1-5H3
• InChIKey: QCIWZIYBBNEPKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyldimethylsilane
• IUPAC Traditional name: tert-butyldimethylsilane
• Synonyms: tert-Butyldimethylsilane; 叔丁基二甲基硅烷

Database IDs

• CAS Number: 29681-57-0
• MDL Number: MFCD00010754
• Beilstein Number: 2231162
• PubChem SID: 24857735; 162242862
• PubChem CID: 9898815

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.9593
• LogD (pH = 7.4): 0.9593
• Log P: 0.9593
• Molar Refractivity: 31.4005 cm^3
• Polarizability: 14.732455 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 81-83 °C(lit.)
• Flash Point: -11 °C; 12.2 °F
• Density: 0.701 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4(lit.); n20/D 1.400

Safety Information

• European Hazard Symbols: Flammable (F); Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11-36/37/38
• Safety Statements: 16-26-36
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H315-H319-H335
• GHS Precautionary statements: P210-P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 2

Product Information

• Purity: ≥95.0% (GC); 95%
• Grade: purum
• Linear Formula: (CH3)3CSiH(CH3)2

DETAILS

Sigma Aldrich - 294764

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 19907

Other Notes
Pd-catalyzed preparation of tert-butyldimethylsilyl urethanes from benzyl and allyl urethanes1; TBDMS-triflate catalyzed reduction of ketones to TBDMS-ethers2