cerium(3+) ion trichloride

• ChemBase编号: 126472
• 分子式: CeCl3
• 平均质量: 246.475
• 单一同位素质量: 244.81199604
• SMILES: [Cl-].[Cl-].[Cl-].[Ce+3]
• Canonical SMILES: [Cl-].[Cl-].[Cl-].[Ce+3]
• InChI: InChI=1S/Ce.3ClH/h;3*1H/q+3;;;/p-3
• InChIKey: VYLVYHXQOHJDJL-UHFFFAOYSA-K

名称和登记号

名称

• IUPAC标准名: cerium(3+) ion trichloride
• IUPAC传统名: cerium(3+) ion trichloride
• 别名: 三氯化铈(III),无水; 三氯化铈(III),超干; 氯化铈(III)七水合物; Cerium trichloride; Cerium(III) chloride, anhydrous; Cerium(III) chloride, ultra dry; Cerous chloride heptahydrate; Cerium(III) chloride heptahydrate; Cerous chloride; Cerium(III) chloride

登记号

• CAS号: 7790-86-5; 18618-55-8
• EC号: 232-227-8
• MDL号: MFCD00149634; MFCD00010929
• 默克索引号: 141997
• PubChem SID: 162220806
• PubChem CID: 24636
• CHEBI ID: 35458
• Chemspider ID: 23038
• 美国药典/FDA物质标识码: TH8E3IE00V
• 维基百科标题: Cerium(III)_chloride

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: 100 g/100 ml in water; soluble in alcohol; Soluble in water, alcohol, acetone, acids
• 外观: Crystalline, Ampouled under argon; fine white powder; Powder
• 熔点: 817 °C (anhydrous) ; 90 °C (heptahydrate, decomp); 848°C
• 沸点: 1727 °C; 1727°C
• 闪点: Non-flammable
• 密度: 3.92; 3.97 g/cm^3

安全信息

• 保存注意事项: Air Sensitive & Hygroscopic; Hygroscopic
• RTECS编号: FK5075000; FK5100000
• 欧盟危险性物质标志: 刺激性(Irritant) (Xi)
• 危险公开号: 36/37/38
• 安全公开号: 26-37
• TSCA收录: 是
• GHS危险品标识: GHS07
• GHS危险声明: H315-H319-H335
• GHS警示性声明: P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 99%; 99.5% (REO); 99.9% (REO)

参考文献

• Reagent for selective cleavage of MEM ethers (see 2-Methoxyethoxymethyl chloride, L01050) under mild conditions: Org. Lett., 3, 1149 (2001).
• Useful in modifying the reactivity of Sodium borohydride, 35788, allowing selective reduction of ketones in the presence of aldehydes: J. Am. Chem. Soc., 101, 5848 (1979), and giving increased selectivity for 1,2-reduction of enones to allylic alcohols: J. Chem. Soc., Chem. Commun., 601 (1978); cyclohexenones can be reduced in an alkyl alcohol to give the alkyl allylic ether in high yield: Pol. J. Chem., 69, 1655 (1995).
• With a catalytic amount of NaI in acetonitrile, dioxolanes (ethylene acetals) are deprotected to the parent carbonyl compounds: J. Org. Chem., 62, 4183 (1997), as are 4-methoxybenzyl ethers: J. Org. Chem., 64, 5696 (1999), and allyl ethers: Tetrahedron Lett., 40, 7293 (1999), to the parent alcohols. With a stoichiometric amount of NaI, alcohols can be converted to alkyl iodides: J. Org. Chem., 65, 2830 (2000), aryl alkyl ethers undergo dealkylation to phenols: Chem. Lett., 738 (2000), and selective deprotection of N-Boc protected tert-butyl amino acid esters can be achieved: J. Org. Chem., 66, 4430 (2001). Also deprotects the tert-butyl ethers of alcohols: Adv. Synth. Catal., 348, 905 (2006). For a review of the CeCl₃?nH₂O/NaI system,as an efficient, water-tolerant Lewis Acid promoter in organic synthesis, see: Synlett, 2101 (2003).
• In combination with Zn in acetonitrile, promotes the Reformatsky reaction of Ethyl bromofluoroacetate, B21579: J. Org. Chem., 67, 72 (2002).
• For preparation of the anhydrous reagent and its use in combination with organolithium or Grignard reagents to suppress side reactions with carbonyl compounds, see: Org. Synth., 76, 228 (1998).
• For a brief feature on uses of this reagent, see: Synlett, 1935 (2002).