IRON (II) FLUORIDE CAS#: 7783-50-8; ChemWhat Code: 19838
Identification
| Product Name | IRON (II) FLUORIDE |
| IUPAC Name | trifluoroiron |
| Molecular Structure |  |
| CAS Registry Number | 7783-50-8 |
| EINECS Number | 232-002-4 |
| MDL Number | MFCD00011012 |
| Beilstein Registry Number | No data available |
| Synonyms | iron(III) fluorideferric fluoride(III)Iron(III) fluorideiron trifluorideiron fluoride |
| Molecular Formula | F3Fe |
| Molecular Weight | 112.84 |
| InChI | InChI=1S/3FH.Fe/h3*1H;/q;;;+3/p-3 |
| InChI Key | SHXXPRJOPFJRHA-UHFFFAOYSA-K |
| Canonical SMILES | F[Fe](F)F |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2002/10372 | Process for producing 1,1,3,3-tetrachloro-1,3-difluoroacetone | 2002 |
| US4179465 | N-fluoromethyl-carbamic acid fluorides and their manufacture | 1979 |
Physical Data
| Appearance | Dark gray powder |
| Solubility | Soluble in dilute hydrofluroic acid. Slightly soluble in water. Insoluble in alcohol, ether and benzene. |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | Hygroscopic |
| Density, g·cm-3 | Type (Density) | Comment (Density) |
| 2.9 | detd. in ethyl phthalate | |
| 3.61 | crystallographic | |
| 3.87 | crystallographic |
| Description (Association (MCS)) | Comment (Adsorption (MCS)) | Partner (Association (MCS)) |
| Adsorption to title compound | sorption diagram | CCl2F2 |
| Adsorption to title compound | sorption diagram | CCl3F |
| Adsorption to title compound | acetonitrile | CCl4 |
Spectra
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) | Temperature (IR Spectroscopy), °C | Comment (IR Spectroscopy) |
| Bands | further solvent(s) | ||
| Spectrum | solid matrix | -261.16 | 720 cm**-1 – 770 cm**-1 |
| Bands | solid matrix | -261.16 | 720 cm**-1 – 770 cm**-1 |
| Bands | not given |
| Comment (Mass Spectrometry) |
| Molecular peak, Fragmentation pattern |
| Fragmentation pattern |
| Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) |
| aq. HF | 244.8 nm – 272.7 nm |
| Description (Raman Spectroscopy) |
| Raman |
| Description (Luminescence Spectroscopy) |
| X-ray spectroscopy |
| X-ray emission spectrum |
Route of Synthesis (ROS)
| Conditions | Yield |
| In neat (no solvent) byproducts: H2O; under HF stream, 750°C; | |
| In neat (no solvent) at 120℃; for 48h; |
Safety and Hazards
| Pictogram(s) |    |
| Signal | Danger |
| GHS Hazard Statements | H301 (29.31%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (68.97%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (29.31%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (68.97%): Harmful in contact with skin [Warning Acute toxicity, dermal] H314 (93.1%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H331 (22.41%): Toxic if inhaled [Danger Acute toxicity, inhalation] H332 (68.97%): Harmful if inhaled [Warning Acute toxicity, inhalation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P260, P261, P264, P270, P271, P280, P301+P310, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P312, P304+P340, P305+P351+P338, P310, P311, P312, P321, P322, P330, P361, P363, P403+P233, P405, 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 | 112.842 |
| logP | 1.536 |
| 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 |
| IRON (II) FLUORIDE CAS#: 7783-50-8 is used as a cathode material for lithium batteries. |
| hygroscopic when powdered |
| highly hygroscopic |
| highly sensitive to hydrolysis |
| hygroscopic |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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