λ2-chromium(2+) ion dichloride

• ChemBase ID: 302385
• Molecular Formular: Cl2Cr
• Molecular Mass: 122.9021
• Monoisotopic Mass: 121.87821286
• SMILES: [Cl-].[Cl-].[Cr+2]
• Canonical SMILES: [Cl-].[Cl-].[Cr+2]
• InChI: InChI=1S/2ClH.Cr/h2*1H;/q;;+2/p-2
• InChIKey: XBWRJSSJWDOUSJ-UHFFFAOYSA-L

NAMES AND DATABASE IDS

Names

• IUPAC name: λ^2-chromium(2+) ion dichloride
• IUPAC Traditional name: λ^2-chromium(2+) ion dichloride
• Synonyms: Chromous chloride; Chromium(II) chloride, anhydrous; 氯化铬(II), 无水; 无水氯化铬(II)

Database IDs

• CAS Number: 10049-05-5
• EC Number: 233-163-3
• MDL Number: MFCD00010947
• Merck Index: 142244

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: Soluble in water. Insoluble in alcohol and ether
• Apperance: -80 Mesh Powder
• Melting Point: 824°C
• Density: 2.878

Safety Information

• Storage Warning: Air & Moisture Sensitive
• RTECS: GB5250000
• European Hazard Symbols: Corrosive (C); X
• UN Number: UN3260
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 22-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Hazard statements: H314-H318-H302
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 97%; 99.9% (metals basis)

REFERENCES

• With vinyl halides, forms vinyl Cr compounds which can add selectively to aldehydes to give allylic alcohols (Nozaki reaction): Tetrahedron Lett., 24, 5281 (1983). Better results have been obtained in the presence of a trace of NiCl₂: J. Am. Chem. Soc., 108, 6048(1986). For similar reaction with alkynyl halides, see: Tetrahedron Lett., 26, 5585 (1985); Tetrahedron Lett., 28, 3463 (1987): Org. Synth. Coll., 9, 472 (1998). Intramolecular application of the Nozaki reaction has effected closure of a 13-membered ring: J. Am. Chem. Soc., 110, 5198 (1988), and of a strained 9-membered ring: J. Am. Chem. Soc., 112, 5369 (1992), in good yield. For brief reviews of CrCl₂ as a reagent, see: J. Prakt. Chem./ Chem.-Ztg., 338, 491 (1996); Synlett, 722 (2001).
• Reducing agent. Converts vic-dihalides and epoxides to alkenes, and ɑ-haloketones to ketones: J. Am. Chem. Soc., 82, 3399, 3696 (1960), reduces benzoquinones to hydroquinones: J. Chem. Soc. (C), 2349 (1969), and deoxygenates aromatic amine oxides: Chem. Pharm. Bull., 24, 1839 (1976). Alkyl nitro compounds are reduced to oximes: J. Chem. Soc. (C), 1182 (1970); Synthesis, 7 (1974). Aromatic nitro groups can be selectively reduced in DMF under mild conditions to arylamines, applicable to solid supported systems: Tetrahedron Lett., 40, 245 (1999).
• Promotes the addition of allylic halides to aldehydes to give homoallylic alcohols, generally with high anti- selectivity (Hiyama reaction): Tetrahedron Lett., 22, 1037 (1981); 23, 2343 (1982); Tetrahedron, 37, 3873 (1981); J. Am. Chem. Soc., 113, 4218 (1991).