bromo(tert-butyl)methoxy(phenyl)silane

• ChemBase ID: 138407
• Molecular Formular: C11H17BrOSi
• Molecular Mass: 273.24158
• Monoisotopic Mass: 272.0232037
• SMILES: CC(C)(C)[Si](c1ccccc1)(OC)Br
• Canonical SMILES: CO[Si](C(C)(C)C)(c1ccccc1)Br
• InChI: InChI=1S/C11H17BrOSi/c1-11(2,3)14(12,13-4)10-8-6-5-7-9-10/h5-9H,1-4H3
• InChIKey: VFFLZSQFWJXUJJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bromo(tert-butyl)methoxy(phenyl)silane
• IUPAC Traditional name: bromo(tert-butyl)methoxy(phenyl)silane
• Synonyms: TBMPSiBr; tert-Butyl(methoxy)phenylbromosilane; Bromo-tert-butyl(methoxy)phenylsilane; 叔丁基(甲氧基)苯基溴硅烷; 溴-叔丁基(甲氧基)苯基硅烷

Database IDs

• CAS Number: 94124-39-7
• MDL Number: MFCD00043308
• Beilstein Number: 4983916
• PubChem SID: 24852061; 162232663
• PubChem CID: 5062224

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.5283
• LogD (pH = 7.4): 3.5283
• Log P: 3.5283
• Molar Refractivity: 60.7587 cm^3
• Polarizability: 25.795006 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80-82 °C/0.1 mmHg
• Flash Point: 106 °C; 222.8 °F
• Density: 1.218 g/mL at 20 °C(lit.)
• Refractive Index: n20/D 1.516

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3265
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314
• GHS Precautionary statements: P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3265 8/PG 2

Product Information

• Purity: ≥95.0% (GC); 95%
• Empirical Formula (Hill Notation): C11H17BrOSi

DETAILS

Sigma Aldrich - 20240

Other Notes
Protecting group reagent for alcohols; derivatives are selectively cleaved with fluoride in the presence of other silyl ethers1,2