2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate

• ChemBase编号: 6761
• 分子式: C4H2F8O3S
• 平均质量: 282.1091056
• 单一同位素质量: 281.95969068
• SMILES: C(C(COS(=O)(=O)C(F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: FC(C(F)(F)F)(COS(=O)(=O)C(F)(F)F)F
• InChI: InChI=1S/C4H2F8O3S/c5-2(6,3(7,8)9)1-15-16(13,14)4(10,11)12/h1H2
• InChIKey: QHZUUSNAUOEJBB-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate
• IUPAC传统名: 2,2,3,3,3-pentafluoropropyl trifluoromethanesulfonate
• 别名: 2,2,3,3,3-Pentafluoropropyl trifluoromethanesulfonate; 2,2,3,3,3-Pentafluoropropyl triflate; 2,2,3,3,3-Pentafluoropropyl trifluoromethanesulphonate 97%

登记号

• CAS号: 6401-00-9
• MDL号: MFCD01862006
• PubChem SID: 160970068
• PubChem CID: 2776019

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 3.1817367
• LogD (pH = 7.4): 3.1817367
• Log P: 3.1817367
• 摩尔折射率: 31.5823 cm^3
• 极化性: 13.312066 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 5
• 里宾斯基五规则: true

分子性质

理化性质

• 沸点: 102-105°C/740mm
• 折射率: 1.3012; 1.3032

安全信息

• 保存注意事项: Corrosive/Toxic; TOXIC, CORROSIVE
• TSCA收录: false

产品相关信息

• 纯度: 97%