Basic information
- CAS
2706-91-4- Standard SMILES
O=S(=O)(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
ACEKLXZRZOWKRY-UHFFFAOYSA-N- Molecular formula
- C5F11SO3H
- Average molar mass
- 350.11 g/mol
- Monoisotopic mass
- 349.94707485
Names & identifiers
- Preferred name
- Perfluoropentanesulfonic acid
- IUPAC
- 1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acid
- English name
- perfluoropentane-1-sulphonic acid
- Molecular formula
- C5HF11O3S
- Molecular weight
- 350.11
Names & synonyms
perfluoropentanesulfonic acid2706-91-41-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane-1-sulfonic acidPerfluoropentane-1-sulfonic acid1,1,2,2,3,3,4,4,5,5,5-Undecafluoro-1-pentanesulfonic acidDTXSID8062600undecafluoro-1-pentanesulfonic AcidYWK28LB8TLPFPeS perfluoropentanesulfonic acidRefChem:860286DTXCID4037613
Show more names
Perfluoropentanesulphonic acidPerfluoropentanesulfonic acid in methanolUndecafluoropentanesulfonic Acid See P698190Perfluoropentanesulfonic acid 100 μg/mL in Methanol:Water
220-301-2PFPeSPerfluoropentane-1-sulphonic acidUNDECAFLUOROPENTANE-1-SULFONIC ACIDPerfluoropentanesulfonic acid hydrate5-DOXYL-stearic Acid, Free Radical (>90%)C5HF11O3SEINECS 220-301-2
Database identifiers
- CAS
2706-91-4- PubChem CID
- 75922
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 469
Experimental & physicochemical properties
Chemical Classes
Ionic Liquids -> Fluorinated Ionic Liquids
Ionic Liquids
PFAS
PFAS -> Perfluorosulfonic acids
PFAS -> PFsulfonic acids (PFSA)
PFAS -> Other/unspecified
PFAS -> non-polymer
PFAS -> Other/unspecified
PFAS -> OECD Category
Collision Cross Section142.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
Physicochemical properties
- Melting point
- 300 °C · >300°C
- Boiling point
- 225 °C · 225 °C
- Density
- 1.844 · 1.844±0.06 g/cm3(Predicted)
- solubility
- Acetone (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -3.56 · -3.56±0.50(Predicted)
- color
- Off-White
- InChI
- InChI=1S/C5HF11O3S/c6-1(7,2(8,9)4(12,13)14)3(10,11)5(15,16)20(17,18)19/h(H,17,18,19)
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Not Classified
Hazard information
Regulatory Information
Hazard Traits - Hazard Trait Undefined
S - indicates a substance that is identified in a final Significant New Use Rule.
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2904990090
- Signal word
- Danger
- Symbol(GHS)
- GHS05,GHS07
- Hazard statements
- H302+H312+H332-H314
- Precautionary statements
- P310-P260-P280
Chemistry & industry
Uses & manufacturing
Uses
• AFFF (detected) [Ref: https://doi.org/10.1021/es3034999]
non-polymer PFAS -> Fire-Fighting Foam -> Aqueous film-forming foams (AFFF)
Use Classification
PFAS -> PFsulfonic acids (PFSA)
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Pentanesulfonic acid, 1,1,2,2,3,3,4,4,5,5,5-undecafluoro-: INACTIVE
Applications
UsesUndecafluoropentanesulfonic Acid is derived from Perfluoroamyl Iodide (P286320), which can be used in the synthesis of perfluoroalkylated olefins and perfluoroalkanoic acids.
Suppliers10 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
西安莱茵生物科技有限公司86-(0)29-85992781 17792393971 · [email protected]
Novachemistry44-20819178-90 02081917890 · [email protected]
上海泰坦科技股份有限公司13023226327 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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