di-tert-butylsilane

• ChemBase ID: 149813
• Molecular Formular: C8H20Si
• Molecular Mass: 144.3299
• Monoisotopic Mass: 144.13342717
• SMILES: CC(C)(C)[SiH2]C(C)(C)C
• Canonical SMILES: CC([SiH2]C(C)(C)C)(C)C
• InChI: InChI=1S/C8H20Si/c1-7(2,3)9-8(4,5)6/h9H2,1-6H3
• InChIKey: ZLKSBZCITVUTSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: di-tert-butylsilane
• IUPAC Traditional name: di-tert-butylsilane
• Synonyms: Di-tert-butylsilane; 二叔丁基硅烷

Database IDs

• CAS Number: 30736-07-3
• MDL Number: MFCD00270996
• PubChem SID: 162243975; 24878816
• PubChem CID: 6365032

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.9016
• LogD (pH = 7.4): 0.9016
• Log P: 0.9016
• Molar Refractivity: 40.6046 cm^3
• Polarizability: 18.425707 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -38 °C(lit.)
• Boiling Point: 129-130 °C(lit.)
• Flash Point: -2 °C; 28.4 °F
• Density: 0.729 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.42(lit.)

Safety Information

• European Hazard Symbols: Flammable (F)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2
• Risk Statements: 11
• Safety Statements: 16-33
• GHS Pictograms: GHS02
• GHS Signal Word: Danger
• GHS Hazard statements: H225
• GHS Precautionary statements: P210
• 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: 97%
• Linear Formula: [(CH3)3C]2SiH2

DETAILS

Sigma Aldrich - 545236

Packaging
5 mL in glass bottle