2,2,3,3,4,4,4-Heptafluorobutyl methanesulfonate
Basic information
- CAS
755-88-4- Standard SMILES
CS(=O)(=O)OCC(F)(F)C(F)(F)C(F)(F)F- InChIKey
BIAQIBMKUAWVNN-UHFFFAOYSA-N- Molecular formula
- C5H5F7O3S
- Average molar mass
- 278.15 g/mol
- Monoisotopic mass
- 277.98476233
Names & identifiers
- Preferred name
- 2,2,3,3,4,4,4-Heptafluorobutyl methanesulfonate
- IUPAC
- 2,2,3,3,4,4,4-heptafluorobutyl methanesulfonate
- English name
- 1H,1H-Heptafluorobutyl methanesulfonate
- Molecular formula
- C5H5F7O3S
- Molecular weight
- 278.15
Names & synonyms
2,2,3,3,4,4,4-Heptafluorobutyl methanesulfonate755-88-4DTXSID30895522RefChem:242631DTXCID7013250381H,1H-Heptafluorobutyl methanesulfonateMFCD01862043NS00110039H806171-Butanol, 2,2,3,3,4,4,4-heptafluoro-, 1-methanesulfonate
Database identifiers
- CAS
755-88-4- PubChem CID
- 95757136
- DTXSID
DTXSID30895522
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 338
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 78 · 78-80 °C(Press: 6 Torr)
- Density
- 1.573 · 1.573±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · 2,2,3,3,4,4,4-Heptafluorobutyl methanesulfonate (755-88-4)
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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