基本情報
- CAS
68957-58-4- 標準SMILES
C[N+](C)(C)CCCNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[I-]- InChIKey
ISWKWKSVIRGKHB-UHFFFAOYSA-M- 分子式
- C12H16F13N2O2S.I
- 平均分子量
- 626.22 g/mol
- 単同位体質量
- 625.97696
名称と識別子
- 優先名称
- 1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-, iodide (1:1)
- IUPAC
- trimethyl-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexylsulfonylamino)propyl]azanium iodide
- 英語名
- trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium iodide
- 分子式
- C12H16F13IN2O2S
- 分子量
- 626.22
名称と別名
EINECS 273-350-73-(((Tridecafluorohexyl)sulfonyl)amino)-N,N,N-trimethyl-1-propanaminium iodide1-Propanaminium, N,N,N-trimethyl-3-(((tridecafluorohexyl)sulfonyl)amino)-, iodide1-Propanaminium, N,N,N-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-, iodide1-Propanaminium, N,N,N-trimethyl-3-(((1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl)amino)-, iodide (1:1)1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, iodide (1:1)RefChem:4360471-Propanaminium, N,N,N-trimethyl-3-(tridecafluorohexyl)sulfonylamino-, iodide68957-58-4Trimethyl-3-(((tridecafluorohexyl)sulphonyl)amino)propylammonium iodide1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, iodideSCHEMBL28682719
名称をさらに表示
fluoroalkyl quaternary ammonium iodide (C6)Trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]propylammonium iodidetrimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium iodide
物性
構造計算による物性
- 極性表面積
- 54.6 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
- 10
- 重原子数
- 31
- 形式電荷
- 0
- 複雑度
- 705
実験および物理化学的性質
PFAS
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> non-polymer
物理化学的性質
- EPAの化学物質情報
- 1 · 1-Propanaminium, N,N,N-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-, iodide (68957-58-4)
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-Propanaminium, N,N,N-trimethyl-3-[[(tridecafluorohexyl)sulfonyl]amino]-, iodide
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: Trimethyl-3-[[(tridecafluorohexyl)sulphonyl]amino]propylammonium iodide
1-Propanaminium, N,N,N-trimethyl-3-(tridecafluorohexyl)sulfonylamino-, iodide: 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 precusors of perfluoroalkane sulfonic acids (PFSA) (C5-C7): Human health tier II assessment
安全データ
- tsca
- TSCA listed
化学と産業
用途と製造
Uses
• Cleaning and desifection [Ref: https://doi.org/10.1007/978-3-642-21872-9]
non-polymer PFAS -> Cleaning compositions -> Cleaning compositions in general
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Propanaminium, N,N,N-trimethyl-3-[[(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)sulfonyl]amino]-, iodide (1:1): ACTIVE
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