mercury(2+) ion diacetate

• ChemBase编号: 128268
• 分子式: C4H6HgO4
• 平均质量: 318.67804
• 单一同位素质量: 319.99725167
• SMILES: [Hg+2].[O-]C(=O)C.[O-]C(=O)C
• Canonical SMILES: [O-]C(=O)C.[O-]C(=O)C.[Hg+2]
• InChI: InChI=1S/2C2H4O2.Hg/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
• InChIKey: BRMYZIKAHFEUFJ-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: mercury(2+) ion diacetate
• IUPAC传统名: mercury(2+) ion diacetate
• 别名: 乙酸汞(II), ACS; 乙酸汞(II); Mercury(II) acetate, ACS; Acetic acid mercury(II) salt; Mercury(II) acetate; mercuric acetate; mercuriacetate; Mercury(II) acetate

登记号

• CAS号: 1600-27-7
• EC号: 216-491-1
• MDL号: MFCD00012165
• Beilstein号: 3563831
• 默克索引号: 145873
• PubChem SID: 162222576
• PubChem CID: 15337
• CHEBI ID: 33211
• Chemspider ID: 14599
• 美国药典/FDA物质标识码: R0G1MCT8Y5
• 维基百科标题: Mercury(II)_acetate

理论计算性质

• Acid pKa: 4.54344
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -1.2242727
• LogD (pH = 7.4): -2.9968748
• Log P: -0.22334571
• 摩尔折射率: 23.4808 cm^3
• 极化性: 4.912116 Å^3
• 极化表面积: 40.13 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: 25 g/100 mL (10 °C) ; 100 g/100 mL (100 °C) in water; soluble in alcohol, diethyl ether
• 外观: Crystalline; white-yellow crystals
• 熔点: 179 °C (decomposes); 179-182°C
• 密度: 3.28; 3.28 g/cm3, solid
• 气味: mild vinegar odor

安全信息

• 保存注意事项: Light Sensitive
• RTECS编号: AI8575000
• 欧盟危险性物质标志: 环境危害性(Nature polluting) (N); 剧毒(Highly toxic) (T+)
• 联合国危险货物编号: UN1629
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): II
• 危险公开号: 26/27/28-33-50/53
• 安全公开号: 13-28-45-60-61
• TSCA收录: 是
• GHS危险品标识: GHS06; GHS08; GHS09
• NFPA704:
  

  0

  3

  0
• GHS危险声明: H300-H310-H330-H373-H400-H410
• GHS警示性声明: P280H-P273-P302+P352-P309-P310-P501A

产品相关信息

• 纯度: 98.0% min; 98+%

参考文献

• The solvomercuration of alkenes by Hg(OAc)₂, with demercuration by NaBH₄, is a useful method for the Markovnikov hydration of alkenes; reviews: Angew. Chem. Int. Ed., 17, 27 (1978); Tetrahedron, 38, 1713 (1982). See, e.g.: Org. Synth. Coll., 6, 766 (1988):
  
• Intramolecular oxy- or amino-mercuration is a useful route to oxygen or nitrogen heterocycles: J. Heterocycl. Chem., 11, 771 (1974); 13, 349 (1976); 15, 1313 (1978):
  
• For an improved method for the synthesis of substituted pyrrolidines using TBTH as reducing agent, avoiding the reaction reversal encountered with borohydride, see: Synth. Commun., 26, 1507 (1996).
• Mercuration/demercuration of aliphatic isocyanates provides a mild route to primary amines: Tetrahedron Lett., 36, 8859 (1995).
• For a review of organomercurials in synthesis, see: Tetrahedron, 38, 1713 (1982).