基本情報
- CAS
70225-16-0- 標準SMILES
O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.OCCNCCO- InChIKey
VAWRKOLUZUTBLC-UHFFFAOYSA-N- 分子式
- C6HF13O3S.C4H11NO2
- 平均分子量
- 505.25 g/mol
- 単同位体質量
- 505.0228598
名称と識別子
- 優先名称
- 1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, compd. with 2,2'-iminobis(ethanol) (1:1)
- IUPAC
- 2-(2-hydroxyethylamino)ethanol;1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonic acid
名称と別名
EINECS 274-462-9Tridecafluorohexanesulphonic acid, compound with 2,2'-iminodiethanol (1:1)70225-16-0RefChem:433019274-462-9
データベース識別子
- CAS
70225-16-0- PubChem CID
- 112396
- EC Number
- 274-462-9
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
- 19
- 回転可能結合数
- 9
- 重原子数
- 30
- 形式電荷
- 0
- 複雑度
- 582
実験および物理化学的性質
PFASPFAS -> OECD Category
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。
GHS分類
GHS Classification
Danger
H301: Toxic if swallowed [Danger Acute toxicity, oral]
P203, P260, P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P318, P319, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)
危険有害性情報
Regulatory Information
Chemical: 1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, compound with 2,2'-iminobis[ethanol] (1:1)
Hazard Traits - Bioaccumulation; Environmental Persistence
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: tridecafluorohexanesulphonic acid, compound with 2,2'-iminodiethanol (1:1)
Substance: Tridecafluorohexanesulphonic acid, compound with 2,2'-iminodiethanol (1:1)
1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, compd. with 2,2'-iminobis[ethanol] (1:1): 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 - Direct precursors to perfluoroheptanesulfonate (PFHpS), perfluorohexanesulfonate (PFHxS) and perfluoropentanesulfonate (PFPeS): Environment tier II assessment
Hazard Classes and CategoriesAcute toxicity - category 3
化学と産業
用途と製造
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Hexanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-, compd. with 2,2'-iminobis[ethanol] (1:1): ACTIVE
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