HCID100374

1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulphonyl chloride

1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl chloride

C6ClF13O2S418.56 g/molCAS 55591-23-6

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IDENTITY

结构与身份

标准SMILES: O=S(=O)(Cl)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIKey: DVRQSALCLMEVIH-UHFFFAOYSA-N
分子式: C6ClF13O2S
平均分子量: 418.56 g/mol
单同位素质量: 417.9099942

COMPUTED

结构计算性质

已同步

XLogP: 5
极性表面积: 42.5 Å²
氢键供体: 0
氢键受体: 15
可旋转键: 5
重原子: 23
形式电荷: 0
复杂度: 556

HAZARDS

危害信息

来源：PubChem

Regulatory Information

Substance: 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulphonyl chloride；EC: 259-717-4；Date of inclusion in the POPs Regulation: 29-Dec-2022；POPs Regulation Annex: Annex I, part A; Annex IV

REGULATORY

法规信息

来源：PubChem

Regulatory Information

Substance: 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulphonyl chloride；EC: 259-717-4；Date of inclusion in the POPs Regulation: 29-Dec-2022；POPs Regulation Annex: Annex I, part A; Annex IV

USES

用途与制造

来源：PubChem

Use Classification

PFAS (per- and polyfluoroalkyl substances) -> OECD Category

ALIASES

名称与别名

共 19 条

55591-23-61,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulphonyl chlorideTRIDECAFLUOROHEXANE-1-SULFONYL CHLORIDEperfluorohexylsulfonyl chloride6PVN372CSTperfluorohexanesulfonyl chlorideNSC-2921511,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl chlorideEINECS 259-717-4NSC292151UNII-6PVN372CSTSCHEMBL1146134DTXSID10204138NSC 292151NS00011257EN300-736041Perfluorohexanesulfonyl chloride; Perfluorohexylsulfonyl chloride1-Hexanesulfonyl chloride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-1-Hexanesulphonyl chloride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-

REACTIONS

参与反应

1 条

uspto-grants-1992_06 · 10.6084/m9.figshare.5104873.v1 · US05118879

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