Basic information
- CAS
423-50-7- Standard SMILES
O=S(=O)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
HSDJWNJDPDJOEV-UHFFFAOYSA-N- Molecular formula
- C6F14O2S
- Average molar mass
- 402.11 g/mol
- Monoisotopic mass
- 401.93954532
Names & identifiers
- Preferred name
- 1-Hexanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-
- IUPAC
- 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl fluoride
- English name
- Perflurohexane sulphonyl fluoride
- Molecular formula
- C6F14O2S
- Molecular weight
- 402.11
Names & synonyms
Perfluorohexanesulphonyl fluoride1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl fluorideEINECS 207-026-3DTXSID30599731-Hexanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-RefChem:230713DTXCID1040083207-026-3423-50-7perfluorohexanesulfonyl fluoridePerflurohexane sulphonyl fluoridePERFLUOROHEXANE SULPHONYL FLUORIDE
Show more names
PerfluorhexansulfonylfluoridPERFLUOROHEXAANESULFONYLFLUORIDEPerflouro hexane sulfonyl flouridePerfluorohexanesulphonylfluoride97%Perfluorohexanesulfonylfluoride,98%
Perfluorohexylsulfonyl fluoridetridecafluorohexane-1-sulfonyl fluoride1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexane-1-sulfonyl fluorideMFCD00042452C6F14O2Stridecafluorohexanesulfonyl fluoride1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluoro-1-hexanesulfonyl Fluoride; 1,1,2,2,3,3,4,4,5,5,6,6,6-Tridecafluorohexane-1-sulfonyl Fluoride; Perfluoro-1-hexanesulfonyl Fluoride; Perfluorohexanesulfonyl Fluoride; Perfluorohexylsulfonyl Fluoride; Tridecafluorohexanesulfonyl FluoridePFHSF
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 551
Experimental & physicochemical properties
PFAS
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 114 · 114-115 °C
- Density
- 1.785 · 1.785±0.06 g/cm3(Predicted)
- solubility
- Benzene (Sparingly), Methanol (Slightly)
- form
- liquid
- color
- Clear
- Stability
- Moisture Sensitive
- InChI
- InChI=1S/C6F14O2S/c7-1(8,3(11,12)5(15,16)17)2(9,10)4(13,14)6(18,19)23(20,21)22
- InChIKey
- HSDJWNJDPDJOEV-UHFFFAOYSA-N
- SMILES
- C(F)(F)(S(F)(=O)=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
- CAS DataBase Reference
- 423 · 423-50-7(CAS DataBase Reference)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H314 (50%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Not Classified
Danger
Hazard information
Regulatory Information
Chemical: 1-Hexanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: Perfluorohexanesulphonyl fluoride
Other Safety InformationIMAP assessments - Direct precursors to perfluoroheptanesulfonate (PFHpS), perfluorohexanesulfonate (PFHxS) and perfluoropentanesulfonate (PFPeS): Environment tier II assessment
Hazard Classes and Categories
Skin Corr. 1B (50%)
Acute toxicity - category 3
Safety data
- tsca
- TSCA listed
- ridadr
- 3265
- hs_code
- 2904990090
- risk_code
- 20/21/22-34
- Signal word
- Danger
- Symbol(GHS)
- GHS05
- hazard_code
- C
Chemistry & industry
Uses & manufacturing
Uses• Precurser [Ref: Norwegian Environment Agency. 2018. Investigation of Sources to PFHxS in the Environment (M-961).]
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Hexanesulfonyl fluoride, 1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluoro-: INACTIVE
Applications
UsesPerfluorohexane Sulphonyl Fluoride (>80%) is a useful compound for preparing acrylic pressure-sensitive adhesive tape.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
湖南嘉航医药科技有限公司85521272 18229978283 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
Related reactions
7 records
Compound notes
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