$l^{2}-tin(2+) ion ditrifluoromethanesulfonate

• ChemBase编号: 9816
• 分子式: C2F6O6S2Sn
• 平均质量: 416.8392192
• 单一同位素质量: 417.80624304
• SMILES: [O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[Sn+2]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[Sn+2]
• InChI: InChI=1S/2CHF3O3S.Sn/c2*2-1(3,4)8(5,6)7;/h2*(H,5,6,7);/q;;+2/p-2
• InChIKey: RBGLVWCAGPITBS-UHFFFAOYSA-L

名称和登记号

名称

• IUPAC标准名: $l^{2}-tin(2+) ion ditrifluoromethanesulfonate; λ^2-tin(2+) ion ditrifluoromethanesulfonate
• IUPAC传统名: $l^{2}-tin(2+) ion ditriflate; λ^2-tin(2+) ion ditriflate
• 别名: 三氟甲烷磺酸锡(II); 三氟甲磺酸锡; 三氟甲烷磺酸锡; Tin trifluoromethanesulfonate; Sn(OTf)2; Stannous trifluoromethanesulfonate; Tin(II) triflate; Tin(II) trifluoromethanesulfonate

登记号

• CAS号: 62086-04-8
• MDL号: MFCD00191251
• PubChem SID: 24890319; 24864209; 160973123
• PubChem CID: 2776843

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

• 熔点: ≥300 °C(lit.)

安全信息

• 保存注意事项: IRRITANT
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3261
• 德国WGK号: 3
• 联合国危险货物等级: 8
• 联合国危险货物包装类别(PG): 2
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45
• TSCA收录: false
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314
• GHS警示性声明: P280-P305 + P351 + P338-P310
• 个人保护装置: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3261 8/PG 2

产品相关信息

• 纯度: ≥97.0% (T); 90%; 97%
• 级别: purum
• 线性分子式: (CF3SO3)2Sn

详细说明

Sigma Aldrich - 388122

Application
Mild Lewis acid used for stereoselective aldol and Michael reactions; [2,3]-Wittig and Ireland-Claisen rearrangements; Horner-Wadsworth-Emmons reactions; asymmetric [3 + 2] cycloaddition; ring opening reactions; and Friedel-Crafts Reactions
包装
1, 5 g in glass bottle

Sigma Aldrich - 96565

Application
Mild Lewis acid used for stereoselective aldol and Michael reactions; [2,3]-Wittig and Ireland-Claisen rearrangements; Horner-Wadsworth-Emmons reactions; asymmetric [3 + 2] cycloaddition; ring opening reactions; and Friedel-Crafts Reactions