tris(tert-butoxy)silanol

• ChemBase ID: 141242
• Molecular Formular: C12H28O4Si
• Molecular Mass: 264.43382
• Monoisotopic Mass: 264.17568591
• SMILES: CC(C)(C)O[Si](O)(OC(C)(C)C)OC(C)(C)C
• Canonical SMILES: CC(O[Si](OC(C)(C)C)(OC(C)(C)C)O)(C)C
• InChI: InChI=1S/C12H28O4Si/c1-10(2,3)14-17(13,15-11(4,5)6)16-12(7,8)9/h13H,1-9H3
• InChIKey: HLDBBQREZCVBMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(tert-butoxy)silanol
• IUPAC Traditional name: tris(tert-butoxy)silanol
• Synonyms: TBS; Tris(tert-butoxy)silanol; Tri-tert-butyl hydrogen orthosilicate; 三(叔丁氧基)硅烷醇

Database IDs

• CAS Number: 18166-43-3
• MDL Number: MFCD00271024
• PubChem SID: 162235477; 24879332
• PubChem CID: 316157

CALCULATED PROPERTIES

• Acid pKa: 6.9971633
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.0707672
• LogD (pH = 7.4): 1.5426697
• Log P: 2.0843
• Molar Refractivity: 65.1221 cm^3
• Polarizability: 28.482847 Å^3
• Polar Surface Area: 47.92 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: solid
• Melting Point: 63-65 °C(lit.)
• Boiling Point: 205-210 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95+%; 99.999%
• Linear Formula: ((CH3)3CO)3SiOH

DETAILS

Sigma Aldrich - 553468

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 697281

Frequently Asked Questions
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General description
Atomic number of base material: 14 Silicon
Packaging
25 g in ss cylinder
Protocols & Applications
Precursors Packaged for Depositions Systems