trimethoxy(phenyl)silane

• ChemBase ID: 111111
• Molecular Formular: C9H14O3Si
• Molecular Mass: 198.29116
• Monoisotopic Mass: 198.07122084
• SMILES: CO[Si](OC)(OC)c1ccccc1
• Canonical SMILES: CO[Si](c1ccccc1)(OC)OC
• InChI: InChI=1S/C9H14O3Si/c1-10-13(11-2,12-3)9-7-5-4-6-8-9/h4-8H,1-3H3
• InChIKey: ZNOCGWVLWPVKAO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethoxy(phenyl)silane
• IUPAC Traditional name: phenyltrimethoxysilane
• Synonyms: Dow Corning® product Z-6124; PHENYLTRIMETHOXYSILANE; (Trimethoxysilyl)benzene; Phenyltrimethoxysilane; Trimethoxyphenylsilane; Trimethoxyphenylsilane; Phenyltrimethoxysilane; Dow Corning® 产品 Z-6124; (三甲氧基甲硅基)苯; 苯基三甲氧基硅烷; 三甲氧基苯基硅烷; 苯基三甲氧基硅烷

Database IDs

• CAS Number: 155684-43-8; 2996-92-1
• EC Number: 221-066-9
• MDL Number: MFCD00025689
• Beilstein Number: 2937896
• PubChem SID: 24846673; 24887429; 24867248; 162103229; 24885485
• PubChem CID: 18137

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2223
• LogD (pH = 7.4): 2.2223
• Log P: 2.2223
• Molar Refractivity: 46.615 cm^3
• Polarizability: 20.86107 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: liquid
• Melting Point: -25°C
• Boiling Point: 210-212°C; 233 °C(lit.)
• Flash Point: 183.2 °F; 37 °C; 84 °C; 86°C(186°F); 98.6 °F
• Density: 1.062 g/mL at 25 °C(lit.); 1.070
• Refractive Index: 1.4735; n20/D 1.468(lit.); n20/D 1.473

Safety Information

• Storage Warning: Moisture Sensitive
• RTECS: VV5252000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-14-20/21/22-36/37/38-68/20/21/22; 36/37/38
• Safety Statements: 23-26-37; 26-36; 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08
• GHS Signal Word: Danger; Warning
• GHS Hazard statements: H226-H302-H314-H335-H371; H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P260-P280-P305 + P351 + P338-P310; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter; Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3
• Supplemental Hazard Statements: Reacts violently with water.

Product Information

• Purity: ≥94%; 97%; 98%
• Grade: deposition grade; purum
• Impurities: 1-3% methyl alcohol
• Linear Formula: C6H5Si(OCH3)3

DETAILS

MP Biomedicals - 05217794

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 679313

Packaging
50 g in glass bottle

Sigma Aldrich - 435651

Packaging
1 L in Sure/Seal™
Legal Information
Repackaged by Aldrich Chemical Company, Inc. Manufactured by Dow Corning Corporation, U.S.A.®Registered trademark of Dow Corning Corporation, U.S.A.
Dow Corning is a registered trademark of The Dow Chemical Company or an affiliated company of Dow

Sigma Aldrich - 104744

Packaging
50, 250 mL in glass bottle

REFERENCES

• Aryltrimethoxysilanes undergo Pd-catalyzed cross-coupling reactions with e.g. aryl iodides in the presence of TBAF, via a postulated hypervalent siloxane intermediate: J. Org. Chem., 64, 1684 (1999):