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

• ChemBase编号: 97077
• 分子式: C19H14F4O3S2
• 平均质量: 430.4362728
• 单一同位素质量: 430.03204919
• SMILES: S(c1ccc(cc1)F)(c1ccccc1)(c1ccccc1)OS(=O)(=O)C(F)(F)F
• Canonical SMILES: Fc1ccc(cc1)S(c1ccccc1)(c1ccccc1)OS(=O)(=O)C(F)(F)F
• InChI: InChI=1S/C19H14F4O3S2/c20-15-11-13-18(14-12-15)27(16-7-3-1-4-8-16,17-9-5-2-6-10-17)26-28(24,25)19(21,22)23/h1-14H
• InChIKey: VTKYEKOXEMBETI-UHFFFAOYSA-N

名称和登记号

名称

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

登记号

• MDL号: MFCD02683571
• PubChem SID: 162083701
• PubChem CID: 2782333

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 7.28
• LogD (pH = 7.4): 7.28
• Log P: 7.28
• 摩尔折射率: 98.1626 cm^3
• 极化性: 38.92774 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: 117-118°C

安全信息

• 保存注意事项: Corrosive

详细说明

Apollo Scientific Ltd - PC3897

Photoinitiator/Photoacid Generator