ruthenium(3+) ion trichloride

• ChemBase ID: 110962
• Molecular Formular: Cl3Ru
• Molecular Mass: 207.429
• Monoisotopic Mass: 206.81090704
• SMILES: [Cl-].[Cl-].[Cl-].[Ru+3]
• Canonical SMILES: [Cl-].[Cl-].[Cl-].[Ru+3]
• InChI: InChI=1S/3ClH.Ru/h3*1H;/q;;;+3/p-3
• InChIKey: YBCAZPLXEGKKFM-UHFFFAOYSA-K

NAMES AND DATABASE IDS

Names

• IUPAC name: ruthenium(3+) ion trichloride
• IUPAC Traditional name: ruthenium(3+) ion trichloride; ruthenium(3+) trichloride
• Synonyms: Ruthenium(III) chloride hydrate, Premion®; Ruthenium(III) chloride, anhydrous, Premion®; Ruthenium(III) chloride hydrate, 99.9% (PGM basis), Ru 38% min; RUBIDIUM CHLORIDE; 氯化钌(III)水合物, Premion®; 氯化物钌(III), 无水, Premion®; 氯化钌(III)水合物, 99.9% (PGM basis), Ru 38% 最低

Database IDs

• CAS Number: 10049-08-8; 14898-67-0
• EC Number: 233-167-5
• MDL Number: MFCD00011208; MFCD00149844
• Merck Index: 148302
• PubChem SID: 162096029
• PubChem CID: 82323

CALCULATED PROPERTIES

• Acid pKa: -7.0
• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 0.8327582
• LogD (pH = 7.4): 0.8327582
• Log P: 0.6123387
• Molar Refractivity: 5.6156 cm^3
• Polarizability: 2.1090326 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Insoluble in cold water. Decomposes in hot water; Very soluble in water. Soluble in alcohol, acetone
• Apperance: Crystalline; Crystalline Soluble; Powder
• Melting Point: >500°C dec.; 100°Cdec
• Density: 3.110

Safety Information

• Storage Warning: Hygroscopic
• RTECS: VM2650000
• European Hazard Symbols: Corrosive (C); X
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-34-53
• Safety Statements: 20-26-36/37/39-45-60-61
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H314-H318-H290-H302-H412; H314-H318-H290-H302-H413
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 99.9% (PGM basis), Ru 38% min; 99.99% (metals basis); 99.99% (metals basis), Ru 48.2% min

DETAILS

MP Biomedicals - 05217212

MP Biomedicals Rare Chemical collection

REFERENCES

• In the presence of NaOH, is a catalyst for the high-yield rearrangement of sec-allylic alcohols to saturated ketones: J. Chem. Soc., Chem. Commun., 594 (1980). In MeOH, allyl alcohols are converted to allyl ethers. The thermodynamically more stable isomer predominates: Synth. Commun., 12, 807 (1982):
  
• In the presence of 2,2'-bipyridine, catalyzes the stereospecific epoxidation of alkenes. The configuration of the alkene is retained: Tetrahedron Lett., 25, 3187 (1984).
• For a brief survey of uses of RuC₃ in Organic synthesis, see: Synlett, 1974 (2007).
• Used catalytically, in the presence of a suitable reoxidant, such as periodate or sometimes hypochlorite, RuCl₃ is a source of the powerful oxidizing agent, ruthenium(VIII) oxide, RuO₄: J. Org. Chem., 46, 3936 (1981); J. Am. Chem. Soc., 103, 464 (1981).
• Oxidations by RuO₄ include: Alkenes to carboxylic acids: J. Am. Chem. Soc., 103, 464 (1981); Org. Synth. Coll., 8, 377 (1993). In biphasic solvent systems, the reaction can also be controlled to give good yields of syn-diols: Angew. Chem. Int. Ed., 33, 2312 (1994); Chem. Eur. J., 2, 50 (1996). For an improved protocol, employing only 0.5 mol% catalyst, see: Org. Lett., 5, 3353 (2003). For oxidation of diols to carboxylic acids: J. Org. Chem., 53, 5185 (1988). `,a-Enones to carboxylic acids: J. Org. Chem., 52, 689 (1987). Alkynes to `-diketones: Helv. Chim. Acta, 71, 237 (1988). Ethers to esters: Tetrahedron Lett., 24, 3829 (1983). Amines to amides: Chem. Pharm. Bull., 36, 3125 (1988). Methylbenzenes to benzoic acids: J. Org. Chem., 51, 2880 (1986). For the oxidation of alkenes, alcohols and aromatic rings to carboxylic acids in a biphasic system, see: J. Org. Chem., 55, 1928 (1990). For discussion of the mechanism of oxidation of hydrocarbons and ethers, see: J. Phys. Org. Chem., 9, 310 (1996). In many of these oxidations, acetonitrile has been found to be superior to other solvents due to its effective coordination to the metal. Review: J. L. Courtney in Organic Syntheses by Oxidation with Metal Complexes, W. J. Mijs et al, Eds., Plenum Press, London (1986), p 445. For a review of RuO₄-catalyzed dihydroxylation, ketohydroxylation and mono oxidation, in the synthesis of diols and `-hydroxy ketones, see: Org. Biomol. Chem., 2, 2403 (2004).