1,1,2,3,3,3-Hexafluoro-2-(trifluoromethyl)propanesulphonic acid
Basic information
- CAS
93762-09-5- Standard SMILES
O=S(=O)(O)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
GWJVUODILLGCGD-UHFFFAOYSA-N- Molecular formula
- C4HF9O3S
- Average molar mass
- 300.1 g/mol
- Monoisotopic mass
- 299.95026852
Names & identifiers
- Preferred name
- 1,1,2,3,3,3-Hexafluoro-2-(trifluoromethyl)propanesulphonic acid
- IUPAC
- 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acid
- English name
- 1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propanesulphonic acid
- Molecular formula
- C4HF9O3S
- Molecular weight
- 300.0995688
Names & synonyms
93762-09-5EINECS 297-722-31,1,2,3,3,3-Hexafluoro-2-(trifluoromethyl)propanesulphonic acidPerfluoro-2-(trifluoromethyl)propanesulfonic acid1,1,2,3,3,3-hexafluoro-2-(trifluoromethyl)propane-1-sulfonic acidSCHEMBL4448948DTXSID90239569GWJVUODILLGCGD-UHFFFAOYSA-N1,1,2,3,3,3-HEXAFLUORO-2-(TRIFLUOROMETHYL)PROPANESULFONIC ACIDNS00019312Perfluoro-2-(trifluoromethyl)propanesulphonic acid1,1,2,2,3,3-HEXA-FLUORO-3-(TRIFLUOROMETHOXY)PROPANE-1-SULFONIC ACID
Show more names
1,1,2,3,3,3-Hexafluoro-2-(trifluoromethyl)-1-propanesulfonic acid
Database identifiers
- CAS
93762-09-5- PubChem CID
- 3022201
- DTXSID
DTXSID90239569- EC Number
- 297-722-3
- Nikkaji
- J333.413I
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 370
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- EPA Substance Registry System
- -1 methyl · PFBS, branched, n-1 methyl (93762-09-5)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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