4-Vinyl-1,3-dioxolan-2-one CAS#: 4427-96-7; 凯望编码 (ChemWhat Code): 32928
Identification
| 英文名 | 4-Vinyl-1,3-dioxolan-2-one |
| IUPAC Name | 4-ethenyl-1,3-dioxolan-2-one |
| 分子结构 |  |
| CAS编号 | 4427-96-7 |
| MDL Number | MFCD00143315 |
| 别名 | 4427-96-7 Vinylethylene Carbonate 1,3-Dioxolan-2-one, 4-ethenyl- DTXSID60883553 DTXCID901023074 4-Vinyl-1,3-dioxolan-2-one 4-ethenyl-1,3-dioxolan-2-one MFCD00143315 SCHEMBL48013 2-Oxo-4-vinyl-1,3-dioxolane 4-vinyl-[1,3]dioxolan-2-one 4-vinyl-1,3-dioxaolane-2-one 4-Vinyl-1,3-dioxolan-2-one, stabilized with 0.1% hydroquinone AKOS015891117 4-Vinyl-1,3-dioxolan-2-one, 99% CS-W011250 AS-11362 DB-051205 EN300-7374804 |
| 分子式 | C5H6O3 |
| 分子量 | 114.1 |
| InChI | InChI=1S/C5H6O3/c1-2-4-3-7-5(6)8-4/h2,4H,1,3H2 |
| InChI Key | BJWMSGRKJIOCNR-UHFFFAOYSA-N |
| SMILES | C=CC1COC(=O)O1 |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN116462654 | Preparation method of cyclic ethylene carbonate compound | 2023 |
| CN112979606 | Method for preparing cyclic carbonate by immobilizing CO2 under catalysis of organic boric acid | 2021 |
| US2020/28214 | ELECTROLYTE SOLUTION, ELECTROCHEMICAL DEVICE, LITHIUM ION SECONDARY BATTERY AND MODULE | 2020 |
| CN104447495 | Chiral β – substituted – α, β – unsaturated amino alcohol compound preparation method | 2017 |
| CN105801519 | DIAZABICYCLOOCTANE DERIVATIVES COMPRISING A QUATERNERY AMMONIUM GROUP FOR USE AS ANTIBACTERIAL AGENTS | 2016 |
| WO2013/169362 | METHODS AND SYSTEMS FOR THE FORMATION OF CYCLIC CARBONATES | 2013 |
| US2004/44229 | Process for alpha,beta-dihydroxyalkenes and derivatives | 2004 |
Physical Data
| Appearance | Colorless and transparent liquid |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 77 – 88 | |
| 121 – 121.5 | 9.9758 |
| 43 – 45 | 0.1 |
| Density, g·cm-3 | Reference Temperature, °C | Measurement Temperature, °C |
| 1.1827 | 4 | 25 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | 400 |
| Chemical shifts, Spectrum | 13C | chloroform-d1 | 100 |
| Chemical shifts, Spectrum | 1H | dimethylsulfoxide-d6 | |
| Spectrum | 1H | ||
| Chemical shifts, Spectrum | 1H | chloroform-d1 | |
| Chemical shifts, Spectrum | 1H | chloroform-d1 | |
| Chemical shifts, Spectrum | 13C | chloroform-d1 |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands, Spectrum | |
| Bands | potassium bromide |
| Spectrum | |
| Bands, Spectrum | chloroform |
| Bands | neat (no solvent) |
| Bands | neat (no solvent) |
| Bands, Spectrum |
Route of Synthesis (ROS)
| Conditions | Yield |
| With cobalt-impregnated 2D-nanofibrous covalent organic framework In neat (no solvent) at 120℃; under 750.075 Torr; for 5h; Catalytic behavior; | 99% |
| With tetrabutylammomium bromide; Dy(3+)2C3H7NOC27H13FNO8(3-)*H2O at 80℃; under 760.051 Torr; Catalytic behavior; | 99% |
| With tetrabutylammomium bromide; {(Me2NH2)[Yb4(BDCP)2(μ3-OH)2(μ2-HCO2)(H2O)2]·5DMF·H2O}n In neat (no solvent) at 60℃; under 760.051 Torr; for 7h; Catalytic behavior; | 98% |
Safety and Hazards
| Pictogram(s) |    |
| Signal | Danger |
| GHS Hazard Statements | H301 (80.3%): Toxic if swallowed [Danger Acute toxicity, oral] H317 (15.2%): May cause an allergic skin reaction [Warning Sensitization, Skin] H373 (16.7%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure] |
| Precautionary Statement Codes | P260, P261, P264, P270, P272, P280, P301+P316, P302+P352, P319, P321, P330, P333+P317, P362+P364, P405, and P501 |
Other Data
| Transportation | Under the room temperature and away from light |
| HS Code | |
| Storage | Under the room temperature and away from light |
| Shelf Life | 1 year |
| Market Price |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 114.101 |
| logP | 0.92 |
| HBA | 3 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 35.53 |
| Rotatable Bond (RotB) | 1 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 4-Vinyl-1,3-dioxolan-2-one CAS#: 4427-96-7 is primarily used as an electrolyte additive in lithium-ion batteries to enhance SEI formation and improve battery performance. |
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认证生产商 | |
| Warshel Chemical Ltd | https://www.warshel.com/ |
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其他供应商 | |
| Watson International Limited | 访问Watson官网 |
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