potassium heptadecafluorooctane-1-sulfonate

• ChemBase编号: 12122
• 分子式: C8F17KO3S
• 平均质量: 538.2199544
• 单一同位素质量: 537.89337628
• SMILES: C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(S(=O)(=O)[O-])(F)F.[K+]
• Canonical SMILES: FC(C(C(C(C(S(=O)(=O)[O-])(F)F)(F)F)(F)F)(F)F)(C(C(C(F)(F)F)(F)F)(F)F)F.[K+]
• InChI: InChI=1S/C8HF17O3S.K/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;/h(H,26,27,28);/q;+1/p-1
• InChIKey: WFRUBUQWJYMMRQ-UHFFFAOYSA-M

名称和登记号

名称

• IUPAC标准名: potassium heptadecafluorooctane-1-sulfonate
• IUPAC传统名: potassium heptadecafluorooctane-1-sulfonate; potassium ion heptadecafluorooctane-1-sulfonate; potassium perfluorooctane sulfonate
• 别名: 全氟正辛基磺酸 钾盐; 十七氟辛烷磺酸钾; 全氟辛基磺酸 钾盐; Potassium perfluorooctanesulfonate; PERFLUOROOCTANESULPHONIC ACID POTASSIUM SALT; Perfluorooctanesulfonic acid potassium salt; Potassium heptadecafluoro-1-octanesulfonate; Heptadecafluorooctanesulfonic acid potassium salt; Fluorad 95; Fluortensid FT 800; Megafac F 110; Megafac F 116; Potassium Heptadecafluorooctane-1-sulfonate; Potassium Perfluorooctanesulfonate; Potassium Perfluorooctylsulfonate; EF 102; Eftop EF 102; F 110; F 116; FC 95; Heptadecafluorooctanesulfonic Acid Potassium Salt; 1,1,2,,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic Acid Potassium Salt

登记号

• CAS号: 2795-39-3
• EC号: 220-527-1
• MDL号: MFCD00066407
• Beilstein号: 3864579
• PubChem SID: 160975429; 24887171
• PubChem CID: 23669238

理论计算性质

• Acid pKa: -3.3242528
• 质子受体: 3
• 质子供体: 0
• LogD (pH = 5.5): 3.0534294
• LogD (pH = 7.4): 3.0534291
• Log P: 5.4298277
• 摩尔折射率: 49.8572 cm^3
• 极化性: 20.81871 Å^3
• 极化表面积: 57.2 Å^2
• 可自由旋转的化学键: 8
• 里宾斯基五规则: false

分子性质

理化性质

• 熔点: 277-280 °C(lit.); 285°C

安全信息

• 保存注意事项: IRRITANT
• RTECS编号: RG9701850
• 欧盟危险性物质标志: 腐蚀性(Corrosive) (C); 环境危害性(Nature polluting) (N); 有毒(Toxic) (T); 有害性(Harmful) (Xn)
• 联合国危险货物编号: 2811
• 德国WGK号: 3
• 联合国危险货物等级: 6.1
• 联合国危险货物包装类别(PG): 3
• 危险公开号: 61-20/22-40-48/25-51/53-64; R:22-34
• 安全公开号: 53-45-61; S:26-36/37/39-45
• TSCA收录: false
• GHS危险品标识: GHS07; GHS08; GHS09
• GHS警示词: Danger
• GHS危险声明: H302-H332-H351-H360-H362-H372-H411
• GHS警示性声明: P201-P263-P273-P281-P308 + P313
• 个人保护装置: dust mask type N95 (US), Eyeshields, Faceshields, Gloves
• RID/ADR: UN 2811 6.1/PG 3

产品相关信息

• 纯度: ≥98.0% (T); 98%
• 级别: analytical standard, for environmental analysis
• 线性分子式: CF3(CF2)7SO3K

详细说明

Sigma Aldrich - 77282

包装
10, 50 g in glass bottle

Toronto Research Chemicals - H268700

Heptadecafluorooctanesulfonic Acid (PFOS) is a persistent environmental pollutant that may cause adverse health effects in humans.

参考文献

• Xu, L., et al.: Drug Metab. Dispos., 34, 1406 (2006)
• Lau, C., et al.: Toxicol. Sci., 99, 366 (2006)
• Paul, A., et al.: Environ. Sci. Technol., 43, 386 (2006)