Xrthnty

Perfluorooctanesulfonic acid;
	;
	;
	; 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）;
; pKa	; <<0;
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);
	若非注明，所有数据均出自一般条件（25 ℃，100 kPa）下。;

全氟辛烷磺酸（英语：Perfluorooctanesulfonic acid，PFOS，共軛酸鹼對为全氟辛烷磺酸根）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公司生产的思高洁等多种去污剂中的关键成分。2009年5月，PFOS列入到斯德哥爾摩环境保护国际公约附件B中^[4]。

参考文献

^ http://Chemspider.com/Chemical-structure.67068.html

^ 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.

^ 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.

[1] ttp://Chemspider.com/Chemical-structure.67068.html

[Cheng2009-2] 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.

[Rayne2010-3] 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.

[PR09May-4] 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.

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全氟辛烷磺酸

参考文献

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Perfluorooctanesulfonic acid


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
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）
pK_a	<<0^[2]^[3]
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)
若非注明，所有数据均出自一般条件（25 ℃，100 kPa）下。