基本情報
- CAS
68555-75-9- 標準SMILES
CN(CCO)S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
UYIBZOUSVFOPJK-UHFFFAOYSA-N- 分子式
- C9H8F13NO3S
- 平均分子量
- 457.21 g/mol
- 単同位体質量
- 457.0017304
名称と識別子
- 優先名称
- 1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)-N-methyl-
- IUPAC
- 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)-N-methylhexane-1-sulfonamide
- 現地名
- 1,1,2,2,3,3,4,4,5,5,6,6,6-トリデカフルオロ-N-(2-ヒドロキシエチル)-N-メチル-1-ヘキサンスルホンアミド
- 英語名
- tridecafluoro-N-(2-hydroxyethyl)-N-methylhexanesulphonamide
- 分子式
- C9H8F13NO3S
- 分子量
- 457.21
名称と別名
68555-75-91-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)-N-methyl-EINECS 271-453-1RefChem:4330111,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)-N-methylhexane-1-sulfonamideN-(2-Hydroxyethyl)-N-methylperfluorohexanesulfonamideTridecafluoro-N-(2-hydroxyethyl)-N-methyl-1-hexanesulfonamideTridecafluoro-N-(2-hydroxyethyl)-N-methylhexanesulphonamideN-MeFHxSESCHEMBL8059110DTXSID1071664MFCD27976337
名称をさらに表示
1,1,2,2,3,3,4,4,5,5,6,6,6-トリデカフルオロ-N-(2-ヒドロキシエチル)-N-メチル-1-ヘキサンスルホンアミド1，1，2，2，3，3，4，4，5，5，6，6，6-トリデカフルオロ-N-（2-ヒドロキシエチル）-N-メチルヘキサン-1-スルホンアミドN-methylperfluoro-N-(2-hydroxyethyl)-1-hexanesulfonamidetridecafluoro-N-(2-hydroxyethyl)-N-methylhexanesulphomidetridecafluoro-N-(2-hydroxyethyl)-N-methylhexanesulphonamide in Methanol1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-N-(2-hydroxyethyl)-N-methyl-1-hexanesulfonamide
物性
構造計算による物性
- XLogP
- 3.4
- 極性表面積
- 66 Ų
- 水素結合供与体数
- 1
- 水素結合受容体数
- 17
- 回転可能結合数
- 8
- 重原子数
- 27
- 形式電荷
- 0
- 複雑度
- 636
実験および物理化学的性質
PFAS
PFAS -> Perfluoroalkylsulfonamides
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> non-polymer
Collision Cross Section156.2 Ų [M-C2H4-OH]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
物理化学的性質
- 沸点
- 273.4 · 273.4±50.0 °C(Predicted)
- 比重(密度)
- 1.668 · 1.668±0.06 g/cm3(Predicted)
- 酸解離定数(Pka)
- 14.11 · 14.11±0.10(Predicted)
- Henry's Law Constant
- 6.4 · 6.4×10-1 mol/(m3Pa) at 25℃, Zhang et al. (2010)
- EPAの化学物質情報
- 1 · 1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)-N-methyl- (68555-75-9)
化学的性質
化学的特性Yellow or yellow wax bar
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-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)-N-methyl-
Hazard Traits - Bioaccumulation; Environmental Persistence
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: Tridecafluoro-N-(2-hydroxyethyl)-N-methylhexanesulphonamide
1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)-N-methyl-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Other Safety InformationIMAP assessments - Indirect precursors to perfluoroalkyl sulfonates: Environment tier II assessment
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
Uses
• Textile finishes [Ref: POPRC. 2018b. Risk Profile: Perfluorohexane Sulfonic Acid (CAS No: 355-46-4, PFHxS), Its Salts and PFHxS-Related Compounds - Addendum (UNEP/POPS/POPRC.14/6/Add.1).]
non-polymer PFAS -> Manufacture of Metal Products -> Treatment and coating of metal
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Hexanesulfonamide, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-N-(2-hydroxyethyl)-N-methyl-: ACTIVE
応用分野
使用N-(2-Hydroxyethyl)-N-methylperfluorohexanesulfonamide is a perfluoroalkyl sulfonic acid (PFSA) pollutant.
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