Titanium tetrafluoride CAS#: 7783-63-3; ChemWhat Code: 19746
Identification
| Product Name | Titanium tetrafluoride |
| IUPAC Name | Titanium(2+) fluoride |
| Molecular Structure |  |
| CAS Registry Number | 7783-63-3 |
| EINECS Number | 232-017-6 |
| MDL Number | MFCD00042545 |
| Beilstein Registry Number | No data available |
| Synonyms | titanium(IV) fluoride, titanium(IV) tetrafluoride, titanium(IV) trifluoride, titanium tetrafluoride, titanium tetrafuoride, titanium fluoride, titanium (IV) fluoride |
| Molecular Formula | TiF4 |
| Molecular Weight | 123.86 |
| InChI | InChI=1S/4FH.2Ti/h41H;;/q;;;;2+2/p-4 |
| InChI Key | VHIAGHNQBFWVPM-UHFFFAOYSA-J |
| Canonical SMILES | [F-].[F-].[F-].[F-].[Ti+2].[Ti+2] |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2008/234520 | PROCESS FOR PRODUCING ARYLSULFUR PENTAFLUORIDES | 2008 |
| US2005/287085 | Composition for improving the physico-chemical properties of apatite-based materials, uses thereof and method using same | 2005 |
Physical Data
| Appearance | White powder |
| Solubility | Insoluble in water |
| Sensitivity | Moisture Sensitive |
| Melting Point, °C |
| 284 |
| Boiling Point, °C | Pressure (Boiling Point), Torr |
| 284 | 760 |
| Sublimation, °C | Pressure (Sublimation), Torr |
| 284 | 760 |
| Density, g·cm-3 | Measurement Temperature, °C |
| 2.94 | |
| 2.798 | 20.5 |
| 2.833 | 11 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Temperature (NMR Spectroscopy), °C | Comment (NMR Spectroscopy) |
| Linewidth of NMR absorption | 19F | acetonitrile | -30 – 30 | Signals given |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Temperature (IR Spectroscopy), °C | Comment (IR Spectroscopy) |
| Bands | solid matrix | 530 cm**-1 – 810 cm**-1 | |
| Spectrum | solid matrix | 530 cm**-1 – 810 cm**-1 | |
| Bands | solid matrix | 620 cm**-1 – 800 cm**-1 | |
| Bands | gas | 750 cm**-1 – 850 cm**-1 | |
| Bands | gas | 150 | 760 cm**-1 – 840 cm**-1 |
| Spectrum | solid matrix | 200 cm**-1 – 1000 cm**-1 | |
| Spectrum | neat (no solvent, gas phase) | 742 cm**-1 – 810 cm**-1 |
| Description (Raman Spectroscopy) |
| Spectrum, Bands |
| Bands, Spectrum |
Route of Synthesis (ROS)
| Conditions | Yield |
| With hydrogenchloride at 80 – 160℃; Temperature; Autoclave; | |
| Stage #1: water; titanium(IV) fluoride With N-methylimidazolium tetrafluoroborate; hydrogenchloride at 210℃; for 1.5h; Microwave irradiation; Stage #2: at 600℃; for 2h; | |
| With silica gel In ethanol at 180℃; for 4h; Autoclave; |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
| For more detailed information, please visit ECHA C&L website |
| Source: European Chemicals Agency (ECHA) License Note: Use of the information, documents and data from the ECHA website is subject to the terms and conditions of this Legal Notice, and subject to other binding limitations provided for under applicable law, the information, documents and data made available on the ECHA website may be reproduced, distributed and/or used, totally or in part, for non-commercial purposes provided that ECHA is acknowledged as the source: “Source: European Chemicals Agency, http://echa.europa.eu/”. Such acknowledgement must be included in each copy of the material. ECHA permits and encourages organisations and individuals to create links to the ECHA website under the following cumulative conditions: Links can only be made to webpages that provide a link to the Legal Notice page. License URL: https://echa.europa.eu/web/guest/legal-notice Record Name: (1-Cyano-2-ethoxy-2-oxoethylidenaminooxy)dimethylamino-morpholino-carbenium hexafluorophosphate URL: https://echa.europa.eu/information-on-chemicals/cl-inventory-database/-/discli/details/213446 Description: The information provided here is aggregated from the “Notified classification and labelling” from ECHA’s C&L Inventory. Read more: https://echa.europa.eu/information-on-chemicals/cl-inventory-database |
Other Data
| Transportation | Class 8; Packaging Group: II; UN Number: 3260 |
| 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 | 123.874 |
| logP | 2.322 |
| HBA | 0 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 0 |
| Rotatable Bond (RotB) | 0 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Chemical processes/laboratory use |
| catalyst for producing fluoromethane and 3,3,3-trifluoro-2-(trifluoromethyl)propanoyl fluoride by pyrolyzing 1,1,3,3,3-pentafluoro-2-trifluoromethylpropyl methyl ether in a gas phase |
| solid support for catalyst for fluoroolefins hydrogenation |
| Lubricant additive synthesis |
| Fluorinating agent for organic compounds |
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| Watsonnoke Scientific Ltd | https://www.watsonnoke.com/ |
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