aluminium(3+) ion tritrifluoromethanesulfonate

• ChemBase编号: 93637
• 分子式: C3H3AlF9O9S3
• 平均质量: 477.2126868
• 单一同位素质量: 476.86108729
• SMILES: S(=O)(=O)(C(F)(F)F)[O-].S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)(C(F)(F)F)[O-].[AlH3+3]
• Canonical SMILES: FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.FC(S(=O)(=O)[O-])(F)F.[AlH3+3]
• InChI: InChI=1S/3CHF3O3S.Al/c3*2-1(3,4)8(5,6)7;/h3*(H,5,6,7);/q;;;+3/p-3
• InChIKey: FKOASGGZYSYPBI-UHFFFAOYSA-K

名称和登记号

名称

• IUPAC标准名: aluminium(3+) ion tritrifluoromethanesulfonate
• IUPAC传统名: aluminium(3+) tritriflate; aluminium(3+) ion tritriflate
• 别名: 三(三氟磺酸)铝; 三氟甲磺酸铝; Aluminium trifluoromethanesulphonate 99%; Trifluoromethanesulfonic acid aluminum salt; Aluminum tris(trifluoromethanesulfonate); Tris(trifluoromethanesulfonato)aluminum; Aluminum triflate; Aluminum trifluoromethanesulfonate

登记号

• CAS号: 74974-61-1
• MDL号: MFCD00143596
• PubChem SID: 24873851; 162080322
• PubChem CID: 2737634

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: 3
• 里宾斯基五规则: true

分子性质

理化性质

• 外观: Powder
• 熔点: 300 °C(lit.); 300°C; ca 300°C

安全信息

• 保存注意事项: Corrosive/Hygroscopic; Hygroscopic
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C)
• 联合国危险货物编号: 3261; UN3261
• 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): 3; III
• 危险公开号: 34
• 安全公开号: 26-36/37/39-45
• TSCA收录: 否
• GHS危险品标识: GHS05
• GHS警示词: Danger
• GHS危险声明: H314; H314-H318
• GHS警示性声明: P280-P303+P361+P353-P305+P351+P338-P310; 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 3

产品相关信息

• 纯度: 99%; 99.9% trace metals basis
• 线性分子式: (CF3SO3)3Al

详细说明

Sigma Aldrich - 515884

包装
10, 50 g in glass bottle

参考文献

• Catalyst for efficient, Chemoselective thioacetalization of carbonyl compounds, e.g. with 1,3-Propanedithiol, A15261: Synth. Commun., 33, 167 (2003).