(tert-butoxy)(chloro)diphenylsilane

• ChemBase ID: 9996
• Molecular Formular: C16H19ClOSi
• Molecular Mass: 290.85996
• Monoisotopic Mass: 290.08936944
• SMILES: [Si](OC(C)(C)C)(Cl)(c1ccccc1)c1ccccc1
• Canonical SMILES: CC(O[Si](c1ccccc1)(c1ccccc1)Cl)(C)C
• InChI: InChI=1S/C16H19ClOSi/c1-16(2,3)18-19(17,14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13H,1-3H3
• InChIKey: MSZDOMFSWXWKTK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (tert-butoxy)(chloro)diphenylsilane
• IUPAC Traditional name: tert-butoxy(chloro)diphenylsilane
• Synonyms: tert-Butoxy(chloro)diphenylsilane; tert-Butoxychlorodiphenylsilane; (tert-Butoxy)diphenylsilyl chloride; (tert-Butoxy)(chloro)diphenylsilane 95%; tert-Butoxy-diphenylchlorosilane; 叔丁氧基-二苯基氯硅烷; 叔丁氧基(氯)二苯基硅烷; 叔丁氧基二苯基氯硅烷; 叔丁氧基氯二苯基硅烷

Database IDs

• CAS Number: 17922-24-6
• MDL Number: MFCD00077672
• Beilstein Number: 5037778
• PubChem SID: 160973303; 24852258
• PubChem CID: 2735650

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.3314
• LogD (pH = 7.4): 5.3314
• Log P: 5.3314
• Molar Refractivity: 77.9374 cm^3
• Polarizability: 32.726597 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 130-135 °C/0.1 mmHg; 130-135°C/0.1mm
• Flash Point: 132.8 °F; 56 °C; 56°C
• Density: 1.057; 1.076; 1.076 g/mL at 20 °C(lit.)
• Refractive Index: 1.5380; 1.54; n20/D 1.539

Safety Information

• Storage Warning: Corrosive/Flammable/Moisture Sensitive/Store under Argon/Store at -20°C; MOISTURE SENSITIVE, CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: 2986
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-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 2986 8/PG 2
• Storage Temperature: -20°C

Product Information

• Purity: ≥97.0% (GC); 95%; 97%
• Contains: ~0.5% CaCO3 as stabilizer; 2% calcium carbonate as stabilizer
• Empirical Formula (Hill Notation): C16H19ClOSi

DETAILS

Apollo Scientific Ltd - OR2833

Stabilised with 0.5% calcium carbonate

Sigma Aldrich - 20437

Other Notes
Reagent for the introduction of a new alcohol-protecting group; these ethers are about 10 times more stable to acid hydrolysis than the corresponding TBDMS ethers and are cleaved with TBAF about 25 times more readily1,2
Packaging
5 mL in glass bottle