Boron trifluoride dimethyl etherate CAS#: 353-42-4; ChemWhat Code: 70010
Identification
| Product Name | Boron trifluoride dimethyl etherate |
| IUPAC Name | dimethyloxonio(trifluoro)boranuide |
| Molecular Structure |  |
| CAS Registry Number | 353-42-4 |
| EINECS Number | 206-532-1 |
| MDL Number | MFCD00013192 |
| Beilstein Registry Number | 3613739 |
| Synonyms | boron trifluoride dimethyl etherate, boron trifluoride-dimethyl ether complex, boron trifluoride methyletherate, boron trifluoride-methyl ether complex, Boron trifluoride dimethyl etherate, boron trifluoride methyl etherate, borontrifluoride diethyl etherate |
| Molecular Formula | BF3 · O(CH3)2 |
| Molecular Weight | 113.87 |
| InChI | InChI=1S/C2H5N3O2/c3-1(6)5-2(4)7/h(H5,3,4,5,6,7) |
| InChI Key | FOWZWMGLMYVYDH-UHFFFAOYSA-N |
| Canonical SMILES | [B-]([O+](C)C)(F)(F)F |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| The Fourier transform infrared spectra of the complexes of boron trifluoride with dimethyl ether and dimethyl sulphide in cryogenic matrices | ||
| Synthesis and structures of boron- and aluminum-containing spirocycles with P-P units |
Physical Data
| Appearance | Yellowish or light yellow transparent liquid |
| Water Solubility | Slightly soluble(1.87e-02 g/L) |
| Flash Point | 62 °C (143.6 °F) |
| Refractive index | 1.4264 (estimate) |
| Water Solubility | 2 g/100 mL (25 oC) |
| Sensitivity | Hygroscopic |
| Melting Point, °C | Solvent (Melting Point) |
| -15 – -14 | |
| -14 – -12 |
| Boiling Point, °C | Pressure (Boiling Point), Torr | Comment (Boiling Point) |
| 126 | 752 | |
| 127 | 756 | aus der Dampfdruckkurve. |
| 126 – 127 | ||
| 128 | 760 | aus der Dampfdruckgleichung. |
| Refractive Index | Wavelength (Refractive Index), nm | Temperature (Refractive Index), °C | Comment (Refractive Index) |
| 1.302 | 589 | 20 | |
| 1.302 | 589.3 | 20 | Liquid |
| Density, g·cm-3 | Reference Temperature, °C | Measurement Temperature, °C |
| 1.2411 | 4 | 20 |
| 1.239 | 4 | 25 |
| 1.2348 | 4 | 25 |
| 1.207 – 1.241 | 4 | 20-49 |
| 1.14 | 0 | |
| 1.18 | 70 | |
| 1.2 | 50 |
Spectra
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Temperature (IRSpectroscopy), °C | Comment (IR Spectroscopy) |
| Spectrum | solid N2 | -256.15 | |
| Spectrum | solid Ar | -256.15 | |
| Spectrum | gaseous matrix | 450 cm**-1 – 1600 cm**-1 | |
| Bands | gaseous matrix | 450 cm**-1 – 1600 cm**-1 | |
| Bands | gaseous matrix | 24 | 600 cm**-1 – 3200 cm**-1 |
| Bands | neat (no solvent) | 24 | 600 cm**-1 – 3200 cm**-1 |
| Boron trifluoride dimethyl etherate CAS#: 353-42-4 IR |  |
| Boron trifluoride dimethyl etherate CAS#: 353-42-4 Raman |  |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) |
| Spectrum | 210 nm – 500 nm |
| Description (Raman Spectroscopy) | Solvent (Raman Spectroscopy) | Comment (Raman Spectroscopy) |
| Spectrum | ||
| Raman |
Route of Synthesis (ROS)
| Conditions | Yield |
| condensing with liq. N2; | |
| In gaseous matrix Kinetics; at 297 K; | |
| In neat (no solvent) Kinetics; at 297 K; | |
| condensing with liq. N2; | |
| ice cooling; distn.; | |
| In gaseous matrix BF3 co-condensed with Me2O in Ar or N2 matrices at 17 K; not isolated; monitored by IR; |
Safety and Hazards
| Pictogram(s) |     |
| Signal | Danger |
| GHS Hazard Statements | H260: In contact with water releases flammable gases which may ignite spontaneously [Danger Substances and mixtures which in contact with water, emit flammable gases] H302: Harmful if swallowed [Warning Acute toxicity, oral] H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318: Causes serious eye damage [Danger Serious eye damage/eye irritation] H332: Harmful if inhaled [Warning Acute toxicity, inhalation] H372: Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P260, P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P311, P312, P314, P321, P322, P330, P332+P313, P337+P313, P361, P362, P363, P391, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) For more detailed information, please visit ECHA C&L website |
Other Data
| Transportation | Class 8, 3 and 4.3; Packaging Group: I; UN Number: 2965 |
| Under the room temperature and away from light | |
| HS Code | 294200 |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD80/kg |
| Use Pattern |
| Biuret (Carbamoylurea) was used as a source of dietary nitrogen in purified diets for steers. |
| stable at room temp. |
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| Warshel Chemical Ltd | http://www.warshel.com/ |
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