Chromium(III) chloride

• CAS: 10025-73-7
• Catalog Number: ACM10025737
• Category: Metal & Ceramic Materials
• Molecular Weight: 158.35
• Molecular Formula: CrCl3
• Synonyms: Chromium(III) trichloride
• IUPAC Name: Trichlorochromium
• Canonical SMILES: Cl[Cr](Cl)Cl
• InChI: InChI=1S/3ClH.Cr/h3*1H;/q;+3/p-3
• InChI Key: QSWDMMVNRMROPK-UHFFFAOYSA-K
• Boiling Point: 1300 °C
• Melting Point: 1152 °C
• Density: 2.87 g/mL at 25 °C (lit.)
• Solubility: Insoluble in water
• Appearance: Violet flakes
• Application: Chromium(III) chloride at elevated termperatures decomposes to chromium( II) chloride and chlorine:; ; 2CrCl3→2CrCl2 + Cl2; ; Heating with excess chlorine produces vapors of chromium(IV) chloride, CrCl4. The tetrahedral tetrachloride is unstable, and occurs only in vapor phase.; ; When heated with hydrogen, it is reduced to chromium(II) chloride with the formation of hydrogen chloride:; ; 2CrCl3 + H2→2CrCl2 + 2HCl; ; Chromium(III) chloride has very low solubility in pure water. However, it readily dissolves in the presence of Cr2+ ion. Reducing agents such as SnCl2 can "solubilize" CrCl3 in water. It forms adducts with many donor ligands. For example, with tetrahydrofuran (THF) in the presence of zinc, it forms the violet crystals of the complex CrCl3•3THF.
• Storage: Store below +30 °C
• Color/Form: Violet, lustrous, hexagonal, crystalline scales;Red-violet crystals;Bright purple plates
• Complexity: 8
• Covalently-Bonded Unit Count: 4
• Decomposition: When heated to decomposition it emits toxic fumes of Cl-;1300 °C
• EC Number: 256-852-0
• Exact Mass: 156.847063
• H-Bond Acceptor: 3
• Heavy Atom Count: 4
• ICSC Number: 1316
• MDL Number: MFCD00010948
• Monoisotopic Mass: 156.847063
• Other Experimental: Produces violet (dilute) or green (concentrated) acid solutions;Greasy feel; also exists in hygroscopic, soluble, peach-blossom colored form;Greenish-black or violet deliquescent crystals, depending on whether chlorine is coordinated with the chromium. Density: 1.76; MP: 83 deg C. Soluble in water and alcohol; insoluble in ether /Chromium chloride hexahydrate/;pH = 2.61 at 20 deg C at a concentration of 50/g/L /Chromium chloride hexahydrate/;Chromium forms a number of compounds in various oxidation states. Those of 2+ (chromous), 3+ (chromic) and 6+ (chromates) are the most important /Chromium, alloys and cmpd/;Cr(III) is the most stable oxidation state of chromium & is always present as a coordination complex /Trivalent chromium/;Slightly soluble in water. /Trivalent chromium/
• pH: Trivalent chromium compounds are amphoteric
• Physical Description: CHROMIC CHLORIDE is a blue or green colored crystals dissolved in water. Denser than water. Corrosive to metals.;Liquid;VIOLET CRYSTALS.
• RTECS Number: GB5425000
• Stability: Stable under recommended storage conditions;Extremely unstable
• Topological Polar Surface Area: 0 Ų
• UNII: Z310X5O5RP
• UN Number: 1760

Case Study

Chromium(III) Chloride-Catalyzed Regioselective Hydropyridylation of Styrene

Li, Yuexuan, et al. Organometallics, 2016, 35, 5, 747-750.

Low-cost chromium(III) chloride combined with cyclohexyl Grignard reagent and 2,2'-bipyridine promotes hydrogen functionalization reaction, which can form branched products with high selectivity by cleaving the inert C-H bond of pyridine.
Procedure for Chromium-Catalyzed Hydropyridination of Styrenes
· In a dried Schlenk flask were placed CrCl3 (8 mg, 0.05 mmol), 2,2'-bipyridine (16 mg, 0.1 mmol), pyridine (40 μL, 0.5 mmol), and DBU (112 μL, 0.75 mmol).
· Then, a solution of cyclohexylmagnesium bromide in THF (0.5 mmol, 0.5 mL) was added dropwise at 0 °C.
· After stirring for 30 min, styrene (75 μL, 0.65 mmol) was added, and the reaction mixture was stirred at 80 °C for 48 h.
· Subsequently, the mixture was cooled to room temperature and quenched with a solution of NH4Cl.
· The crude product was extracted with ethyl acetate and dried with anhydrous Na2SO4.
· After removing the volatiles under vacuum, the residue was purified by flash silica gel column chromatography (eluent: petroleum/EtOAc/Et3N = 25/5/1) to give the adduct compound.