mercury(2+) ion ditrifluoromethanesulfonate

• ChemBase编号: 98065
• 分子式: C2F6HgO6S2
• 平均质量: 498.7282192
• 单一同位素质量: 499.87469204
• SMILES: S(=O)(=O)([O-])C(F)(F)F.[Hg+2].S(=O)(=O)(C(F)(F)F)[O-]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Hg+2]
• InChI: InChI=1S/2CHF3O3S.Hg/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
• InChIKey: BPVYMDMPLCOQPJ-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: mercury(2+) ion ditrifluoromethanesulfonate
• IUPAC传统名: mercury(2+) ion ditriflate; mercury(2+) ditriflate
• 别名: 三氟甲烷磺酸汞; 三氟甲磺酸汞(II); Hg(OTf)2; Mercury(II) trifluoromethanesulfonate; Mercury(II) triflate; Mercury(II) trifluoromethanesulphonate 98%

登记号

• CAS号: 49540-00-3
• MDL号: MFCD00144746
• PubChem SID: 162084531; 24873853
• PubChem CID: 2775250

理论计算性质

• Acid pKa: -3.4301212
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): -1.2283616
• LogD (pH = 7.4): -1.2283617
• Log P: 1.1480371
• 摩尔折射率: 15.8602 cm^3
• 极化性: 7.460577 Å^3
• 极化表面积: 57.2 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: Powder
• 熔点: >350 °C(lit.); >350°C

安全信息

• 保存注意事项: Corrosive/Toxic; Moisture Sensitive
• 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: 2025; UN2025
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 2; II
• 危险公开号: 26/27/28-33-50/53
• 安全公开号: 13-28-36-45-60-61
• TSCA收录: 否
• GHS危险品标识: GHS06; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H300 +H310 + H330-H373-H410; H300-H310-H330-H373-H400-H410
• GHS警示性声明: P260-P264-P273-P280-P284-P301 + P310; P260-P301+P310-P304+P340-P320-P330-P361-P405-P501A
• RID/ADR: UN 2025 6.1/PG 2

产品相关信息

• 纯度: ≥95% trace metals basis; 98%
• 线性分子式: (CF3SO3)2Hg

详细说明

Sigma Aldrich - 515906

Application
Polyene cyclization, oxymercuration, catalytic hydration of alkynes, catalytic hydrative enyne cyclization, catalytic arylyne cyclization, catalytic biomimetic tandem cyclization, catalyticketoalkyne cyclization leading to furans, catalytic cyclization of propargyl tert-butyl carbonates leading to cyclic carbonates, catalytic cycloisomerization of alkynyl aniline derivatives leading toindoles, catalytic alkynoic acid cyclization leading to lactones, catalytic glycosylation
高效烯烃环化剂，用于制备多环萜类化合物。1
包装
25 g in glass bottle