2,2,3,3,4,4,4-heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

• ChemBase编号: 11964
• 分子式: C8H2F16O3S
• 平均质量: 482.1391312
• 单一同位素质量: 481.94691644
• SMILES: C(C(C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F
• Canonical SMILES: FC(C(COS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(F)(F)F)F
• InChI: InChI=1S/C8H2F16O3S/c9-2(10,3(11,12)6(17,18)19)1-27-28(25,26)8(23,24)5(15,16)4(13,14)7(20,21)22/h1H2
• InChIKey: TXGIYYDHRSACPQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2,2,3,3,4,4,4-heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
• IUPAC传统名: 2,2,3,3,4,4,4-heptafluorobutyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
• 别名: 1H,1H-Heptafluorobutyl nonafluorobutanesulfonate; 1H,1H-Perfluorobutyl nonaflate; 1H,1H-Heptafluorobutyl nonafluorobutane sulphonate 97%

登记号

• CAS号: 883499-32-9
• MDL号: MFCD04038309
• PubChem SID: 160975271
• PubChem CID: 2782371

理论计算性质

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 5.3615994
• LogD (pH = 7.4): 5.3615994
• Log P: 5.3615994
• 摩尔折射率: 51.5753 cm^3
• 极化性: 20.941212 Å^3
• 极化表面积: 43.37 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

安全信息

• 保存注意事项: TOXIC; Toxic
• TSCA收录: false

产品相关信息

• 纯度: 97%