λ2-chromium(2+) ion dichloride

• ChemBase编号: 302385
• 分子式: Cl2Cr
• 平均质量: 122.9021
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: λ^2-chromium(2+) ion dichloride
• IUPAC传统名: λ^2-chromium(2+) ion dichloride
• 别名: 氯化铬(II), 无水; 无水氯化铬(II); Chromous chloride; Chromium(II) chloride, anhydrous

登记号

• CAS号: 10049-05-5
• EC号: 233-163-3
• MDL号: MFCD00010947
• 默克索引号: 142244

理论计算性质

• Acid pKa: -7.0
• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): 0.8327582
• LogD (pH = 7.4): 0.8327582
• Log P: 0.6123387
• 摩尔折射率: 5.6156 cm^3
• 极化性: 2.1090326 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

理化性质

• 溶解度: Soluble in water. Insoluble in alcohol and ether
• 外观: -80 Mesh Powder
• 熔点: 824°C
• 密度: 2.878

安全信息

• 保存注意事项: Air & Moisture Sensitive
• RTECS编号: GB5250000
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); X
• 联合国危险货物编号: UN3260
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): III
• 危险公开号: 22-34
• 安全公开号: 26-36/37/39-45
• TSCA收录: 是
• GHS危险品标识: GHS05; GHS07
• GHS危险声明: H314-H318-H302
• GHS警示性声明: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

产品相关信息

• 纯度: 97%; 99.9% (metals basis)

参考文献

• 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).