Basic information
- CAS
68298-12-4- Standard SMILES
CNS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
GFZPUWKGPNHWHD-UHFFFAOYSA-N- Molecular formula
- C4F9SO2NHCH3
- Average molar mass
- 313.14 g/mol
- Monoisotopic mass
- 312.98190335
Names & identifiers
- Preferred name
- 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
- IUPAC
- 1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamide
- English name
- N-(Methyl)nonafluorobutanesulfonamide
- Molecular formula
- C5H4F9NO2S
- Molecular weight
- 313.14
Names & synonyms
N-Methylperfluorobutanesulfonamide1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-1,1,2,2,3,3,4,4,4-nonafluoro-N-methylbutane-1-sulfonamideRefChem:409537614-396-368298-12-4N-(Methyl)nonafluorobutanesulfonamideMeFBSA1,1,2,2,3,3,4,4,4-Nonafluoro-N-methyl-1-butanesulfonamideMFCD19707291C5H4F9NO2SPFBSAm-Me
Show more names
N-Methyl-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonamideN-Methyl-1,1,2,2,3,3,4,4,4-nonafluoro-1-butanesulfonamide
C4F9SO2NHCH3SCHEMBL155471SCHEMBL394730DTXSID1071373methyl perfluorobutane sulfonamideN-MethylnonafluorobutanesulfonamideFM83533NS00011240
Database identifiers
- CAS
68298-12-4- PubChem CID
- 109968
- DTXSID
DTXSID1071373- EC Number
- 614-396-3
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 54.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 406
Experimental & physicochemical properties
PFAS
PFAS -> Perfluoroalkylsulfonamides
PFAS -> PFalkylsulfonamides (FASA)
PFAS -> non-polymer
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Perfluoroalkane sulfonyl fluoride (PASF)-based substances
Physical DescriptionCBI
Collision Cross Section138.9 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
Physicochemical properties
- Melting point
- 33 · 33-38°C
- Boiling point
- 215 ℃ · 215℃ at 101.325kPa
- Density
- 1.646 · 1.646±0.06 g/cm3(Predicted)
- vapor pressure
- 1.333 · 1.333-2.533Pa at 20-25℃
- storage temp.
- Refrigerator
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- 7.58 · 7.58±0.40(Predicted)
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
H301 (36.8%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P264, P264+P265, P270, P273, P280, P301+P316, P301+P317, P305+P351+P338, P318, P321, P330, P337+P317, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Cease Manufacture Update: 30-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/32215
Hazard Classes and CategoriesAcute Tox. 3 (36.8%)
Safety data
- tsca
- TSCA listed
- hs_code
- 2935909099
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS09,GHS08
- Hazard statements
- H302-H319-H411-H361
- REACH Registrations
- Inactive
- Precautionary statements
- P270-P280-P301+P312
Chemistry & industry
Uses & manufacturing
Uses
• Surfactants for inks, paints, waxes [Ref: Norwegian Environment Agency. 2017. Investigation of Sources of PFBS into the Environment (M-759).]
non-polymer PFAS -> Printing (Inks) -> Toner and printer inks
U.S. Production2023: 50,000 - <250,000 lb
Industry UsesIntermediate
Use Classification
PFAS (per- and polyfluoroalkyl substances) -> OECD Category
PFAS -> PFalkylsulfonamides (FASA)
General Manufacturing Information
All Other Basic Organic Chemical Manufacturing
1-Butanesulfonamide, 1,1,2,2,3,3,4,4,4-nonafluoro-N-methyl-: ACTIVE
Applications
Uses1,1,2,2,3,3,4,4,4-Nonafluoro-N-methyl-1-butanesulfonamide is derived from Nonafluoro-1-butanesulfonyl Fluoride (N649320), which is a useful perfluorinated compound (PFC) used in organic synthesis.
Upstream & downstream products
Upstream raw materials
Suppliers6 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
湖南嘉航医药科技有限公司
Related reactions
9 records
Compound notes
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