Vinyltrimethoxysilane CAS#: 2768-02-7; ChemWhat Code: 67419
Identification
| Product Name | Vinyltrimethoxysilane |
| IUPAC Name | ethenyl(trimethoxy)silane |
| Molecular Structure |  |
| CAS Registry Number | 2768-02-7 |
| EINECS Number | 220-449-8 |
| MDL Number | MFCD00008605 |
| Beilstein Registry Number | 1099136 |
| Synonyms | (vinyl)trimethoxylsilanevinyltrimethoxysilane |
| Molecular Formula | H2C=CHSi(OCH3)3 |
| Molecular Weight | 148.23 |
| InChI | InChI=1S/C5H12O3Si/c1-5-9(6-2,7-3)8-4/h5H,1H2,2-4H3 |
| InChI Key | NKSJNEHGWDZZQF-UHFFFAOYSA-N |
| Canonical SMILES | CO[Si](C=C)(OC)OC |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| JP2021/116261 | METHOD FOR PRODUCING SILANOLS AND NOVEL SILANOLS | 2021 |
| CN107868103 | Norbornene organo-dialkoxysilane compound and preparation method thereof | 2018 |
| US2018/298039 | Anti-Fogging Agent | 2018 |
Physical Data
| Appearance | Colorless transparent liquid |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 123 | 760.051 |
| 121 | 712 |
| 55 – 55.5 | 60 |
| Refractive Index | Wavelength (Refractive Index), nm | Temperature (Refractive Index), °C |
| 1.393 | 589 | 20 |
| 1.3919 | 589 | 20 |
| 1.391 | 589 | 25 |
| Density, g·cm-3 | Reference Temperature, °C | Measurement Temperature, °C |
| 0.97 | 4 | 20 |
| 0.9669 | 25 | |
| 0.9669 | 4 | 25 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | dichloromethane-d2 | 700 | |
| COSY (Correlation Spectroscopy), Spectrum | 1H | chloroform-d1 | 700 | |
| Chemical shifts, Spectrum | 29Si | chloroform-d1 | 25 | 99 |
| Chemical shifts, Spectrum | 13C | chloroform-d1 | 25 | 126 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands, Spectrum | potassium bromide |
| Intensity of IR bands, Bands | potassium bromide |
| Bands, Spectrum | neat liquid |
| Bands | |
| IR |
| Description (Mass Spectrometry) |
| spectrum |
| negative ion spectroscopy |
Route of Synthesis (ROS)
| Conditions | Yield |
| With 1-methyl-piperazine; tetrabutyl ammonium fluoride; N-dicyclohexylphosphino-N-methylpiperazine; bis(η3-allyl-μ-chloropalladium(II)) In tetrahydrofuran; toluene at 110℃; for 0.3h; Hiyama cross-coupling; microwave irradiation; | 95% |
| With 1-butyl-3-methyl-3H-imidazol-1-ium fluoride In acetonitrile at 70℃; for 16h; Hiyama Coupling; Inert atmosphere; | 75% |
| With sodium hydroxide; tetrabutylammomium bromide; palladium diacetate In water at 120℃; under 3000.24 – 3750.3 Torr; for 0.416667h; Hiyama coupling; microwave irradiation (40-45 W); | 60% |
| With palladium diacetate; N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride; tetrabutyl ammonium fluoride In 1,4-dioxane at 80℃; for 8h; Condensation; |
Safety and Hazards
| Pictogram(s) |    |
| Signal | Danger |
| GHS Hazard Statements | H226 (56.39%): Flammable liquid and vapor [Warning Flammable liquids] H315 (17.7%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (38.43%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (17.36%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (55.18%): Harmful if inhaled [Warning Acute toxicity, inhalation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P235, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | Under the room temperature and away from light |
| HS Code | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 148.234 |
| logP | 1.042 |
| HBA | 3 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 27.69 |
| Rotatable Bond (RotB) | 4 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Vinyltrimethoxysilane CAS#: 2768-02-7 agent for surface modification of an enzyme-immobilized support suitable for preparing a hydrogel |
| Vinyltrimethoxysilane CAS#: 2768-02-7 Silane coupling component of antifouling coating composition |
| Vinyltrimethoxysilane CAS#: 2768-02-7 ultraviolet (UV) curable coating composition |
| Vinyltrimethoxysilane CAS#: 2768-02-7 modifier of inorganic colloidal silica nanoparticles |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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