全氟辛烷磺酸

全氟辛烷磺酸
	系统名; 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid
别名	PFOS
识别
CAS号	1763-23-1
PubChem	74483
ChemSpider	67068
SMILES	FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F;
InChI	1/C8HF17O3S/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);
InChIKey	YFSUTJLHUFNCNZ-UHFFFAOYAS
EINECS	217-179-8
ChEBI	39421
KEGG	C18142
性质
化学式	C8HF17O3S
摩尔质量	500.13 g/mol g·mol⁻¹
沸点	133 °C（406 K）（6 torr）
pKa	<<0; -3.27±0.50（25 °C）
危险性
警示术语	R：R61, R20/22, R40, R48/25, R64, R51/53
安全术语	S：S53, S45, S61
欧盟分类	Toxic (T); Dangerous for the environment (N)
相关物质
相关化合物	Perfluorooctanoic acid (PFOA), Perfluorobutanesulfonic acid (PFBS), Perfluorooctanesulfonamide (PFOSA), Perfluorononanoic acid (PFNA)
	若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。

全氟辛烷磺酸（英语：Perfluorooctanesulfonic acid，PFOS，共轭酸碱对为全氟辛烷磺酸根），是一种人造的含氟表面活性剂和环境污染物。全氟辛烷磺酸是3M公司生产的思高洁（英语：Scotchgard）(Scotchgard)等多种去污剂中的关键成分。2009年5月，PFOS列入到斯德哥尔摩环境保护国际公约附件B中^[6]。PFOS可以在工业生产中合成，也可以由前体的降解产生。在野生动植物中检测到的全氟辛烷磺酸水平被认为足以影响健康参数，最近发现全氟辛烷磺酸的血清水平升高与美国普通人群罹患慢性肾脏病的风险增加相关^[7]。 “这种相关联系独立于诸如年龄，性别，种族/民族，身高体重指数，糖尿病，高血压和血清胆固醇水平等混杂因素。” ^[7]。

它在2023年被列入IARC第2B类致癌物质。^[8]

参考文献

^ 存档副本. [2020-09-30]. （原始内容存档于2014-12-13）.
^ "Hazardous Substances Data Bank" data were obtained from the National Library of Medicine (US). Retrieved from SciFinder. [2020-11-19].
^ Cheng J, Psillakis E, Hoffmann MR, Colussi AJ. Acid dissociation versus molecular association of perfluoroalkyl oxoacids: Environmental implications. J. Phys. Chem. A. July 2009, 113 (29): 8152–8156. PMID 19569653. doi:10.1021/jp9051352.
^ Rayne S, Forest K, Friesen KJ. Extending the semi-empirical PM6 method for carbon oxyacid pKa prediction to sulfonic acids: Application towards congener-specific estimates for the environmentally and toxicologically relevant C1 through C8 perfluoroalkyl derivatives. Nature Precedings. 2009. doi:10.1038/npre.2009.3011. hdl:10101/npre.2009.2922.1.
^ Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2020 ACD/Labs). Retrieved from SciFinder. [2020-11-19].
^ Governments unite to step-up reduction on global DDT reliance and add nine new chemicals under international treaty. Geneva: Stockholm Convention Secretariat. 8 May 2008 [2018-05-23]. （原始内容存档于2016-04-19）.
^ ^7.0 ^7.1 Shankar, Anoop; Jie Xiao; Alan Ducatman. Perfluoroalkyl Chemicals and Chronic Kidney Disease in US Adults. American Journal of Epidemiology. 2011-10-15, 174 (8): 893–900 [2011-10-10]. PMC 3218627  . PMID 21873601. doi:10.1093/aje/kwr171. （原始内容存档于2013-03-24）.
^ IARC MONOGRAPHS ON THE IDENTIFICATION OF CARCINOGENIC HAZARDS TO HUMANS. WHO. 2023-12-01 [2023-12-06]. （原始内容存档于2021-04-05）.

[1] 存档副本. [2020-09-30]. （原始内容存档于2014-12-13）.

[2] "Hazardous Substances Data Bank" data were obtained from the National Library of Medicine (US). Retrieved from SciFinder. [2020-11-19].

[Cheng2009-3] Cheng J, Psillakis E, Hoffmann MR, Colussi AJ. Acid dissociation versus molecular association of perfluoroalkyl oxoacids: Environmental implications. J. Phys. Chem. A. July 2009, 113 (29): 8152–8156. PMID 19569653. doi:10.1021/jp9051352.

[Rayne2010-4] Rayne S, Forest K, Friesen KJ. Extending the semi-empirical PM6 method for carbon oxyacid pKa prediction to sulfonic acids: Application towards congener-specific estimates for the environmentally and toxicologically relevant C1 through C8 perfluoroalkyl derivatives. Nature Precedings. 2009. doi:10.1038/npre.2009.3011. hdl:10101/npre.2009.2922.1.

[5] Calculated using Advanced Chemistry Development (ACD/Labs) Software V11.02 (© 1994-2020 ACD/Labs). Retrieved from SciFinder. [2020-11-19].

[PR09May-6] Governments unite to step-up reduction on global DDT reliance and add nine new chemicals under international treaty. Geneva: Stockholm Convention Secretariat. 8 May 2008 [2018-05-23]. （原始内容存档于2016-04-19）.

[Shankar_et_al,_2011-7] 7.0 ^7.1 Shankar, Anoop; Jie Xiao; Alan Ducatman. Perfluoroalkyl Chemicals and Chronic Kidney Disease in US Adults. American Journal of Epidemiology. 2011-10-15, 174 (8): 893–900 [2011-10-10]. PMC 3218627  . PMID 21873601. doi:10.1093/aje/kwr171. （原始内容存档于2013-03-24）.

[8] IARC MONOGRAPHS ON THE IDENTIFICATION OF CARCINOGENIC HAZARDS TO HUMANS. WHO. 2023-12-01 [2023-12-06]. （原始内容存档于2021-04-05）.

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全氟辛烷磺酸


系统名 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-octanesulfonic acid^[1]
别名	PFOS
识别
CAS号	1763-23-1 ^Y
PubChem	74483
ChemSpider	67068
SMILES	FC(F)(C(F)(F)S(=O)(=O)O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI	1/C8HF17O3S/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)
InChIKey	YFSUTJLHUFNCNZ-UHFFFAOYAS
EINECS	217-179-8
ChEBI	39421
KEGG	C18142
性质
化学式	C₈HF₁₇O₃S
摩尔质量	500.13 g/mol g·mol⁻¹
沸点	133 °C（406 K）（6 torr）^[2]
pK_a	<<0^[3]^[4] -3.27±0.50（25 °C）^[5]
危险性
警示术语	R：R61, R20/22, R40, R48/25, R64, R51/53
安全术语	S：S53, S45, S61
欧盟分类	Toxic (T) Dangerous for the environment (N)
相关物质
相关化合物	Perfluorooctanoic acid (PFOA), Perfluorobutanesulfonic acid (PFBS), Perfluorooctanesulfonamide (PFOSA), Perfluorononanoic acid (PFNA)
若非注明，所有数据均出自标准状态（25 ℃，100 kPa）下。