1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, ammonium salt (1:1)
Basic information
- CAS
68259-10-9- Standard SMILES
O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.[NH4+]- InChIKey
SQTGBVURPMTXBT-UHFFFAOYSA-N- Molecular formula
- C4HF9O3S.H3N
- Average molar mass
- 317.13 g/mol
- Monoisotopic mass
- 316.97681762
Names & identifiers
- Preferred name
- 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, ammonium salt (1:1)
- IUPAC
- azanium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
- English name
- ammonium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate
- Molecular formula
- C4H4F9NO3S
- Molecular weight
- 317.13
Names & synonyms
1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, ammonium saltAmmonium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonateNonafluoro-1-butanesulfonic acid, ammonium saltEINECS 269-513-71-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, ammonium salt (1:1)RefChem:430853269-513-768259-10-9azanium;1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonateammonium perfluorobutanesulfonateDTXSID3071355AMMONIUM NONAFLUOROBUTANE-1-SULFONATE
Show more names
perfluoro-1-butanesulfonic acid, ammonium saltammonium 1,1,2,2,3,3,4,4,4-nonafluorobutane1-sulphonatAmmonium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonateAMMONIUM 1,1,2,2,3,3,4,4,4-NONAFLUORO-1-BUTANESULFONATE1,1,2,2,3,3,4,4,4-Nonafluoro-1-butanesulfonic acid ammonium salt
NS00090627
Database identifiers
- CAS
68259-10-9- PubChem CID
- 163207
- DTXSID
DTXSID3071355- EC Number
- 269-513-7
Properties
Computed structural properties
- Topological polar surface area
- 66.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 374
Experimental & physicochemical properties
PFAS
PFAS -> Perfluoroalkyl acids (PFAAs)
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Substances of Very High Concern (SVHC) Candidate List
- 1 · Ammonium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate (68259-10-9)
- EPA Substance Registry System
- 1 · 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, ammonium salt (68259-10-9)
- TSCA
- TSCA listed
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
This chemical does not meet GHS hazard criteria for 100% (22 of 22) of all reports.
Not Classified
Aggregated GHS information provided per 22 reports by companies from 1 notifications to the ECHA C&L Inventory.
Warning
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Hazard information
Regulatory Information
Chemical: 1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, ammonium salt
Substance: Ammonium 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulphonate
Other Safety InformationIMAP assessments - Perfluorobutanesulfonic acid and its direct precursors: Environment tier II assessment
Hazard Classes and Categories
Not Classified
Eye irritation - category 2A
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Uses• Photoresist [Ref: https://doi.org/10.1007/978-3-642-21872-9]
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing Information1-Butanesulfonic acid, 1,1,2,2,3,3,4,4,4-nonafluoro-, ammonium salt (1:1): ACTIVE
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Related reactions
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Compound notes
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