Basic information
- CAS
55591-23-6- Standard 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- Molecular formula
- C6ClF13O2S
- Average molar mass
- 418.56 g/mol
- Monoisotopic mass
- 417.9099942
Names & identifiers
- Preferred name
- 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulphonyl chloride
- IUPAC
- 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl chloride
- English name
- 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulphonyl chloride
- Molecular formula
- C6ClF13O2S
- Molecular weight
- 418.56
Names & synonyms
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-6PVN372CSTSCHEMBL1146134
Show more names
Tridecafluoro-1-hexanesulfonyl chloride
DTXSID10204138NSC 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-
Database identifiers
- CAS
55591-23-6- PubChem CID
- 100374
- DTXSID
DTXSID10204138- UNII
- 6PVN372CST
- EC Number
- 259-717-4
- Nikkaji
- J267.030E
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 556
Physicochemical properties
- FDA UNII
- 6 PVN372CST · 6PVN372CST
- EPA Substance Registry System
- 1 · 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulphonyl chloride (55591-23-6)
Safety & regulation
Hazard information
Regulatory InformationSubstance: 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 information
Regulatory InformationSubstance: 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
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
1 records
Compound notes
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