triethoxy(phenyl)silane

• ChemBase ID: 141292
• Molecular Formular: C12H20O3Si
• Molecular Mass: 240.3709
• Monoisotopic Mass: 240.11817103
• SMILES: CCO[Si](c1ccccc1)(OCC)OCC
• Canonical SMILES: CCO[Si](c1ccccc1)(OCC)OCC
• InChI: InChI=1S/C12H20O3Si/c1-4-13-16(14-5-2,15-6-3)12-10-8-7-9-11-12/h7-11H,4-6H2,1-3H3
• InChIKey: JCVQKRGIASEUKR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethoxy(phenyl)silane
• IUPAC Traditional name: silane, triethoxyphenyl-
• Synonyms: Phenyltriethoxysilane; Triethoxyphenylsilane; Triethoxyphenylsilane; Phenyltriethoxysilane; Triethoxy(phenyl)silane; 苯基三乙氧基硅烷; 三乙氧基苯基硅烷; 苯基三乙氧基硅烷

Database IDs

• CAS Number: 780-69-8
• EC Number: 212-305-8
• MDL Number: MFCD00009065
• Beilstein Number: 2940602
• PubChem SID: 24850515; 162235526; 24885483; 24887421
• PubChem CID: 13075

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.2498
• LogD (pH = 7.4): 3.2498
• Log P: 3.2498
• Molar Refractivity: 60.8608 cm^3
• Polarizability: 26.375582 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Boiling Point: 112-113 °C/10 mmHg(lit.); 235°C
• Flash Point: 107.6 °F; 42 °C; 96°C(204°F)
• Density: 0.996; 0.996 g/mL at 25 °C(lit.)
• Refractive Index: 1.4610; n20/D 1.461; n20/D 1.461(lit.)
• Vapor Density: >1 (vs air)

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: VV4900000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10; 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; 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 3

Product Information

• Purity: ≥98%; ≥98.0% (GC); 95+%; 98%
• Grade: deposition grade; purum
• Linear Formula: C6H5Si(OC2H5)3

DETAILS

Sigma Aldrich - 679291

Packaging
50 g in glass bottle

Sigma Aldrich - 175609

Application
A silicon-based nucleophile shown to be reactive in Pd-catalyzed cross-coupling reactions.1
Packaging
1 kg in glass bottle
5, 250 g in glass bottle