N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide

• ChemBase编号: 96633
• 分子式: C10H6F17NO2S
• 平均质量: 527.1979944
• 单一同位素质量: 526.98477918
• SMILES: S(=O)(=O)(C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)NCC
• Canonical SMILES: CCNS(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C10H6F17NO2S/c1-2-28-31(29,30)10(26,27)8(21,22)6(17,18)4(13,14)3(11,12)5(15,16)7(19,20)9(23,24)25/h28H,2H2,1H3
• InChIKey: CCEKAJIANROZEO-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonamide
• IUPAC传统名: sulfluramid
• 别名: N-Ethyl perfluorooctylsulphonamide 96%; N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-1-octanesulfonamide; AI 3-29757; Alstar; FX 12; FiniTron; GX 071; Mirex S; N-Ethylperfluorooctanesulfonamide; N-Ethylperfluorooctylsulfonamide; Volcano; Sulfluramid

登记号

• CAS号: 4151-50-2
• MDL号: MFCD00042274
• PubChem SID: 162083282
• PubChem CID: 77797

理论计算性质

• Acid pKa: 3.64476
• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): 4.5366116
• LogD (pH = 7.4): 4.493084
• Log P: 5.435436
• 摩尔折射率: 62.1596 cm^3
• 极化性: 24.583273 Å^3
• 极化表面积: 46.17 Å^2
• 可自由旋转的化学键: 9
• 里宾斯基五规则: false

分子性质

理化性质

• 溶解度: DMSO; Methanol
• 外观: Tan to Yellow Solid
• 熔点: 80-82°C; 80-90°C
• 沸点: 110°C/2mm
• 密度: 1.62

安全信息

• 保存条件: -20°C Freezer
• 保存注意事项: Irritant

详细说明

Apollo Scientific Ltd - PC3257

Intermediate for water and oil repellant additives.

Toronto Research Chemicals - S699090

An insecticide.

参考文献

• Genualdi, S., et al.: Environ. Sci. Technol., 44, 5534 (2010)
• Bhhatarai, B., et al.: Chem. Res. Toxicol., 23, 528 (2010)
• Liu, B., et al.: J. Agric. Food Chem., 58, 2673 (2010)