naphthalen-1-yldiphenyl-$l^{4}-sulfanyl trifluoromethanesulfonate

• ChemBase编号: 98551
• 分子式: C23H17F3O3S2
• 平均质量: 462.5044896
• 单一同位素质量: 462.05712106
• SMILES: S(c1cccc2ccccc12)(c1ccccc1)(c1ccccc1)OS(=O)(=O)C(F)(F)F
• Canonical SMILES: FC(S(=O)(=O)OS(c1cccc2c1cccc2)(c1ccccc1)c1ccccc1)(F)F
• InChI: InChI=1S/C23H17F3O3S2/c24-23(25,26)31(27,28)29-30(19-12-3-1-4-13-19,20-14-5-2-6-15-20)22-17-9-11-18-10-7-8-16-21(18)22/h1-17H
• InChIKey: VJBTYKFEWUVBFJ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: naphthalen-1-yldiphenyl-$l^{4}-sulfanyl trifluoromethanesulfonate
• IUPAC传统名: naphthalen-1-yldiphenyl-$l^{4}-sulfanyl trifluoromethanesulfonate
• 别名: Diphenyl(naphthyl)sulphonium triflate

登记号

• MDL号: MFCD04038883
• PubChem SID: 162084959
• PubChem CID: 2782342

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 8.1427
• LogD (pH = 7.4): 8.1427
• Log P: 8.1427
• 摩尔折射率: 114.3964 cm^3
• 极化性: 46.563576 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: 132-133°C

安全信息

• 保存注意事项: Corrosive

详细说明

Apollo Scientific Ltd - PC5763

Photoinitiator/Photoacid Generator