Cyclohexanesulfonyl fluoride, nonafluorobis(trifluoromethyl)-
Basic information
- CAS
68156-00-3- Standard SMILES
O=S(=O)(F)C1(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C1(F)C(F)(F)F- InChIKey
XLCQIAITJZQFTE-UHFFFAOYSA-N- Molecular formula
- C8F16O2S
- Average molar mass
- 464.13 g/mol
- Monoisotopic mass
- 463.936351
Names & identifiers
- Preferred name
- Cyclohexanesulfonyl fluoride, nonafluorobis(trifluoromethyl)-
- IUPAC
- 2,2,3,3,4,4,5,5,6-nonafluoro-1,6-bis(trifluoromethyl)cyclohexane-1-sulfonyl fluoride
- English name
- nonafluorobis(trifluoromethyl)cyclohexanesulphonyl fluoride
- Molecular formula
- C8F16O2S
- Molecular weight
- 464.1238512
Names & synonyms
Cyclohexanesulfonyl fluoride, nonafluorobis(trifluoromethyl)-EINECS 268-997-7Nonafluorodi(trifluoromethyl)cyclohexanesulfonyl fluorideRefChem:58061768156-00-3DTXSID20880583Nonafluorobis(trifluoromethyl)cyclohexanesulphonyl fluorideXLCQIAITJZQFTE-UHFFFAOYSA-N2,2,3,3,4,4,5,5,6-nonafluoro-1,6-bis(trifluoromethyl)cyclohexane-1-sulfonyl fluorideNS000111402,2,3,3,4,4,5,5,6-Nonafluoro-1,6-bis(trifluoromethyl)cyclohexanesulfonyl fluoride
Database identifiers
- CAS
68156-00-3- PubChem CID
- 3034839
- DTXSID
DTXSID20880583- EC Number
- 268-997-7
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 1
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 725
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- Cyclohexanesulfonyl fluoride, nonafluorobis(trifluoromethyl)- (68156-00-3)
- 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.
Hazard information
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationCyclohexanesulfonyl fluoride, nonafluorobis(trifluoromethyl)-: INACTIVE
Suppliers
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Related reactions
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Compound notes
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