Basic information
- CAS
646-83-3- Standard SMILES
O=S(=O)(O)C1(F)C(F)(F)C(F)(F)C(F)(C(F)(F)C(F)(F)F)C(F)(F)C1(F)F- InChIKey
ICKAEAFPESRWOT-UHFFFAOYSA-N- Molecular formula
- C8HF15O3S
- Average molar mass
- 462.13 g/mol
- Monoisotopic mass
- 461.9406875
Names & identifiers
- Preferred name
- Perfluoro-4-ethylcyclohexane
- IUPAC
- 1,2,2,3,3,4,5,5,6,6-decafluoro-4-(1,1,2,2,2-pentafluoroethyl)cyclohexane-1-sulfonic acid
- English name
- Perfluoro-p-ethylcyclohexylsulfonic acid
- Molecular formula
- C8HF15O3S
- Molecular weight
- 462.13
Names & synonyms
Perfluoro-4-ethylcyclohexaneRefChem:1094603646-83-3PFECHS1,2,2,3,3,4,5,5,6,6-decafluoro-4-(1,1,2,2,2-pentafluoroethyl)cyclohexane-1-sulfonic AcidPFEtCHxSPerfluoro-p-ethylcyclohexylsulfonic acidDTXSID70275965Perfluoroethylcyclohexane sulfonatePerfluoro-4-ethylcyclohexane sulfonic acid1,2,2,3,3,4,5,5,6,6-DECAFLUORO-4-(PENTAFLUOROETHYL)CYCLOHEXANE-1-SULFONIC ACIDCyclohexanesulfonicacid, 1,2,2,3,3,4,5,5,6,6-decafluoro-4-(1,1,2,2,2-pentafluoroethyl)-
Show more names
Perfluoro-p-ethylcyclohexylsulfonic acid USP/EP/BP1,2,2,3,3,4,5,5.6.6-Hexafluro-4-pentafluroethyl cyclohexanesulfonoic acid1,2,2,3,3,4,5,5,6,6-decafluoro-4-(1,1,2,2,2-pentafluoroethyl)cyclohexane-1-sulfonicaciCyclohexanesulfonic acid, 1,2,2,3,3,4,5,5,6,6-decafluoro-4-(1,1,2,2,2-pentafluoroethyl)-
SCHEMBL316953Cyclic perfluoroalkane sulfonateICKAEAFPESRWOT-UHFFFAOYSA-Nperfluoro ethyl cyclohexane sulfonateperfluoro-4-ethylcyclohexane sulfonateDB-352632NS00112295Perfluoro(perfluoroethyl)cyclohexanesulfonic acid
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 2
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 701
Experimental & physicochemical properties
PFAS
PFAS -> Perfluorosulfonic acids
PFAS -> PFalkylether sulfonic acids (PFESA)
PFAS -> Other/unspecified
PFAS -> PFAS with analytical method available
PFAS -> Other/unspecified
Collision Cross Section153.3 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: PFAS]
Physicochemical properties
- Density
- 1.93 · 1.93±0.1 g/cm3(Predicted)
- pka
- -3.57 · -3.57±0.70(Predicted)
- EPA Substance Registry System
- PFecHS (646-83-3)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS -> PFalkylether sulfonic acids (PFESA)
Applications
UsesPerfluoro-p-ethylcyclohexylsulfonic Acid can be useful in temporal and spatial profiling of per- and polyfluoroalkyl substances (PFAS).
Suppliers9 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
湖北齐飞医药化工有限公司027-59322506 18071128681 · [email protected]
湖北正兴源精细化工有限公司18674046631 18707110115 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
湖北鑫红利化工有限公司027-027-59106151 15172325309 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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