1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-(phosphonooxy)ethyl)-, ammonium salt (1:2)
基本情報
- CAS
67969-69-1- 標準SMILES
CCN(CCOP(=O)(O)O)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.N.N- InChIKey
QANWDYJVELNYTF-UHFFFAOYSA-N- 分子式
- C12H11F17NO6PS.2H3N
- 平均分子量
- 685.29 g/mol
- 単同位体質量
- 685.0304222
名称と識別子
- 優先名称
- 1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-(phosphonooxy)ethyl)-, ammonium salt (1:2)
- IUPAC
- azane;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl dihydrogen phosphate
名称と別名
1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-(phosphonooxy)ethyl)-, ammonium salt (1:2)1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-(phosphonooxy)ethyl)-, diammonium salt1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(phosphonooxy)ethyl]-, diammonium salt1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(phosphonooxy)ethyl]-, ammonium salt (1:2)RefChem:43517367969-69-1Diammonium N-ethylheptadecafluoro-N-(2-(phosphonatooxy)ethyl)octanesulphonamidateH9Y5CA933Uazane;2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl dihydrogen phosphateDiammonium 2-(N-ethyl(perfluorooctane)sulfonamido)ethyl phosphateDiammonium N-ethylheptadecafluoro-N-[2-(phosphonatooxy)ethyl]octanesulphonamidateEINECS 267-977-5
名称をさらに表示
UNII-H9Y5CA933UAKOS015897488N-Ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-(2-(phosphonooxy)ethyl)-1-octanesulfonamide, ammonium saltDIAMMONIUM MONO(N-ETHYL-2-PERFLUOROOCTYLSULFONAMINOETHYL) PHOSPHATEN-ETHYL-N-(2-HYDROXYETHYL)PERFLUOROOCTANESULFONAMIDE PHOSPHATE MONOESTER DIAMMONIUM SALT
物性
構造計算による物性
- 極性表面積
- 115 Ų
- 水素結合供与体数
- 4
- 水素結合受容体数
- 26
- 回転可能結合数
- 13
- 重原子数
- 40
- 形式電荷
- 0
- 複雑度
- 1,000
実験および物理化学的性質
PFAS
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> non-polymer
安全と法規制
安全情報は参考情報です。供給元の安全データシート（SDS）、適用法令、専門家による評価に代わるものではありません。
危険有害性情報
Regulatory Information
Chemical: 1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(phosphonooxy)ethyl]-, diammonium salt
Hazard Traits - Bioaccumulation; Environmental Persistence
S - indicates a substance that is identified in a final Significant New Use Rule.
Other Safety InformationIMAP assessments - Indirect Precursors of Perfluorooctane Sulfonate (PFOS): Human health tier II assessment
化学と産業
用途と製造
Uses
non-polymer PFAS -> Paper and packaging -> Food-contact articles
• Paper and packaging (also for food) [Ref: 3M. 1999. Fluorochemical Use, Distribution and Release Overview.]
General Manufacturing Information1-Octanesulfonamide, N-ethyl-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluoro-N-[2-(phosphonooxy)ethyl]-, ammonium salt (1:2): ACTIVE
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