mercury(2+) ion ditrifluoroacetate

• ChemBase编号: 97726
• 分子式: C4F6HgO4
• 平均质量: 426.6208192
• 单一同位素质量: 427.9407208
• SMILES: [O-]C(=O)C(F)(F)F.[Hg+2].[O-]C(=O)C(F)(F)F
• Canonical SMILES: [O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F.[Hg+2]
• InChI: InChI=1S/2C2HF3O2.Hg/c2*3-2(4,5)1(6)7;/h2*(H,6,7);/q;;+2/p-2
• InChIKey: WMHOESUUCMEQMS-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: mercury(2+) ion ditrifluoroacetate
• IUPAC传统名: mercury(2+) ion ditrifluoroacetate; mercury(2+) ditrifluoroacetate
• 别名: 三氟乙酸汞(II); Mercury(II) trifluoroacetate; Mercuric trifluoroacetate; Mercury(II) trifluoroacetate

登记号

• CAS号: 13257-51-7
• EC号: 236-250-4
• MDL号: MFCD00013201
• Beilstein号: 3633860
• PubChem SID: 162084289
• PubChem CID: 2723924

理论计算性质

• Acid pKa: 0.9503416
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): -2.5809014
• LogD (pH = 7.4): -2.6199632
• Log P: 0.90898293
• 摩尔折射率: 24.491 cm^3
• 极化性: 5.106112 Å^3
• 极化表面积: 40.13 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Crystalline
• 熔点: 167-169°C; 167-173°C
• 闪点: none°C

安全信息

• 保存注意事项: Hygroscopic; Very Toxic/Air Sensitive/Moisture Sensitive/Store under Argon
• 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: UN2025
• 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: 13-20-22-26-28-45-60-61
• TSCA收录: 否
• GHS危险品标识: GHS06; GHS08; GHS09
• GHS危险声明: H300-H310-H330-H373-H400-H410
• GHS警示性声明: P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A

产品相关信息

• 纯度: 98+%

详细说明

Apollo Scientific Ltd - PC4888

Synthesis, 722 (1974): more reactive in alpha-acetoxylation of alkenes than lead(IV)acetate. Please enquire for other uses and references