(4-iodophenyl)diphenyl-$l^{4}-sulfanyl trifluoromethanesulfonate

• ChemBase编号: 97078
• 分子式: C19H14F3IO3S2
• 平均质量: 538.3423396
• 单一同位素质量: 537.93811897
• SMILES: S(c1ccc(cc1)I)(c1ccccc1)(c1ccccc1)OS(=O)(=O)C(F)(F)F
• Canonical SMILES: Ic1ccc(cc1)S(c1ccccc1)(c1ccccc1)OS(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C19H14F3IO3S2/c20-19(21,22)28(24,25)26-27(16-7-3-1-4-8-16,17-9-5-2-6-10-17)18-13-11-15(23)12-14-18/h1-14H
• InChIKey: SEAIRTCLAGUUHK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: (4-iodophenyl)diphenyl-$l^{4}-sulfanyl trifluoromethanesulfonate
• IUPAC传统名: (4-iodophenyl)diphenyl-$l^{4}-sulfanyl trifluoromethanesulfonate
• 别名: Diphenyl(4-iodophenyl)sulphonium triflate

登记号

• MDL号: MFCD02683574
• PubChem SID: 162083702
• PubChem CID: 2782335

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 8.1311
• LogD (pH = 7.4): 8.1311
• Log P: 8.1311
• 摩尔折射率: 111.3087 cm^3
• 极化性: 44.435104 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 155-156°C

安全信息

• 保存注意事项: Corrosive

详细说明

Apollo Scientific Ltd - PC3898

Photoinitiator/Photoacid Generator