CHROMIUM (III) CHLORIDE CAS#: 10025-73-7; ChemWhat Code: 20038
Identification
| Product Name | CHROMIUM (III) CHLORIDE |
| IUPAC Name | trichlorochromium |
| Molecular Structure |  |
| CAS Registry Number | 10025-73-7 |
| EINECS Number | 233-038-3 |
| MDL Number | MFCD00010948 |
| Beilstein Registry Number | No data available |
| Synonyms | chromium(III) chloridechromium trichloridechromium chloridechromic chlorideChromtrichloridchromium(III)chlorideChromium chloride |
| Molecular Formula | CrCl3 |
| Molecular Weight | 158.36 |
| InChI | InChI=1S/3ClH.Cr/h3*1H;/q;;;+3/p-3 |
| InChI Key | QSWDMMVNRMROPK-UHFFFAOYSA-K |
| Canonical SMILES | [Cl-].[Cl-].[Cl-].[Cr+3] |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| EP1171445 | OLIGOMERISATION CATALYST | 2004 |
Physical Data
| Appearance | Light yellow flaky solid |
| Solubility | It is soluble in water as well as soluble in alcohol, benzene. |
| Flash Point | 88 ºC |
| Refractive index | 1.5560 (estimate) |
| Sensitivity | Air Sensitive & Hygroscopic |
| Melting Point, °C | Solvent (Melting Point) |
| 1150 |
| Boiling Point, °C |
| 1150 |
| 1100 |
| Density, g·cm-3 | Reference Temperature, °C | Measurement Temperature, °C |
| 2.61 | ||
| 2.349 – 3.03 | 25 | |
| 2.9156 |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) |
| not given |
| Description (IR Spectroscopy) | Solvent (IR Spectroscopy) |
| Bands | KBr |
| Spectrum | solid matrix |
| Bands | solid |
| Bands | gas |
| Description (Mass Spectrometry) | Comment (Mass Spectrometry) |
| Spectrum | Fragmentation pattern |
| Molecular peak, Fragmentation pattern |
| Description (UV/VIS Spectroscopy) | Solvent (UV/VIS Spectroscopy) | Comment (UV/VIS Spectroscopy) |
| Spectrum, Band assignment | gas | 220 nm – 850 nm |
| Spectrum, Band assignment | H2O | 200 nm – 700 nm |
| Spectrum | H2O | 350 nm – 720 nm |
| Band assignment | neat (no solvent) | 263.158 nm – 714.286 nm |
| Spectrum | further solvent(s) | 434.783 nm – 1250 nm |
Route of Synthesis (ROS)
| Conditions | Yield |
| With catalyst: benzophenone; catalyst: THF; sodium High Pressure; at 150 °C and 210 at CO pressure; | 83.3% |
| With catalyst: benzene; aluminium trichloride; aluminium High Pressure; at 140 °C and 150 – 200 at CO pressure; | 83% |
| triethylaluminum High Pressure; at 110 – 115 °C and 246 at CO pressure; | 76% |
Safety and Hazards
| Pictogram(s) |    |
| Signal | Danger |
| GHS Hazard Statements | 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] H401: Toxic to aquatic life [Hazardous to the aquatic environment, acute hazard] H411: Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P260, P264, P270, P273, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P391, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| 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 | 158.355 |
| HBA | 0 |
| HBD | 0 |
| Matching Lipinski Rules | 3 |
| Veber rules component | |
| Polar Surface Area (PSA) | 0 |
| Rotatable Bond (RotB) | 0 |
| Matching Veber Rules | 2 |
| Use Pattern |
| CHROMIUM (III) CHLORIDE CAS#: 10025-73-7 information on use |
| strongly hygroscopic |
| not hygroscopic |
| CrCl3 soln. inert against Si2H6; |
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Approved Manufacturers | |
| Warshel Chemical Ltd | http://www.warshel.com/ |
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Other Suppliers | |
| Watson International Limited | Visit Watson Official Website |
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