λ1-copper(1+) ion bromide

• ChemBase编号: 110425
• 分子式: BrCu
• 平均质量: 143.45
• 单一同位素质量: 141.8479345
• SMILES: [Cu+].[Br-]
• Canonical SMILES: [Cu+].[Br-]
• InChI: InChI=1S/BrH.Cu/h1H;/q;+1/p-1
• InChIKey: NKNDPYCGAZPOFS-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: λ^1-copper(1+) ion bromide; $l^{1}-copper(1+) ion bromide
• IUPAC传统名: λ^1-copper(1+) ion bromide; copper(1+) bromide
• 别名: 溴化亚铜(I), Puratronic®; 溴化亚铜(I); Copper(I) bromide, Puratronic®; Copper(I) bromide; CUPROUS BROMIDE

登记号

• CAS号: 7787-70-4
• EC号: 231-159-6; 232-131-6
• MDL号: MFCD00010969
• 默克索引号: 142659
• PubChem SID: 162096015
• PubChem CID: 11715197

理论计算性质

• 质子供体: 0
• LogD (pH = 5.5): 0.156
• LogD (pH = 7.4): 0.156
• Log P: 0.156
• 摩尔折射率: 0.0 cm^3
• 极化性: 3.5074239 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
• 质子受体: 0
• Acid pKa: 3.09

分子性质

理化性质

• 溶解度: Slightly soluble in cold water. Decomposes in hot water. Soluble in HBr, HCl, NH4OH
• 外观: Powder; Powder, Ampouled under argon
• 熔点: 492°C
• 沸点: 1345°C
• 密度: 4.98

安全信息

• 保存注意事项: Air Sensitive
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); X; 刺激性(Irritant) (Xi)
• 联合国危险货物编号: UN3077
• 联合国危险货物等级: 9
• 联合国危险货物包装类别(PG): III
• 危险公开号: 22-36/37/38-50/53; 36/37/38
• 安全公开号: 26-36/37-45-60-61; 26-37
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS07; GHS09
• GHS危险声明: H301-H315-H319-H335-H400-H410; H315-H319-H335
• GHS警示性声明: P261-P301+P310-P305+P351+P338-P302+P352-P405-P501A; P261-P305+P351+P338-P302+P352-P321-P405-P501A

产品相关信息

• 纯度: 98%; 99.998% (metals basis)

详细说明

MP Biomedicals - 05214945

MP Biomedicals Rare Chemical collection

参考文献

• Catalyst for 1,4-addition of Grignard reagents to enones: J. Org. Chem., 27, 707 (1962); Org. Synth. Coll., 8, 522 (1993).
• Reaction of Grignard reagents with aromatic nitriles is potentially a useful route to ketones via the imine. However, in the absence of a catalyst, reaction is generally very slow and gives indifferent yields. In the presence of CuBr, tert-butylmagnesium chloride reacts readily with benzonitrile to give tert-butyl phenyl ketone in 94% yield: J. Org. Chem., 52, 3901 (1987).
• Precursor of organocopper reagents. For reviews, see: Org. React., 22, 253 (1975); 41, 135 (1992); Synthesis, 63 (1972); Tetrahedron, 45, 349 (1989).