1-(Perfluoro-n-octyl)tetradecane
Basic information
- CAS
133310-72-2- Standard SMILES
CCCCCCCCCCCCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
IWIJPSWAAIRVQF-UHFFFAOYSA-N- Molecular formula
- C22H29F17
- Average molar mass
- 616.4 g/mol
- Monoisotopic mass
- 616.1997797
Names & identifiers
- Preferred name
- 1-(Perfluoro-n-octyl)tetradecane
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodocosane
- English name
- 1-(Perfluoro-n-octyl)tetradecane
- Molecular formula
- C22H29F17
- Molecular weight
- 616.44
Names & synonyms
1-(Perfluoro-n-octyl)tetradecane133310-72-2DTXSID20402082RefChem:226902DTXCID203529371,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodocosane1-(Perfluorooctyl)tetradecaneMFCD04038348C22H29F17SCHEMBL28264173IWIJPSWAAIRVQF-UHFFFAOYSA-NAKOS015852725
Show more names
1-(Perfluorooctyl)-tetradecane4-BROMO-1,1,1,3,3-PENTAFLUOROBUTANE, 97% MIN.Docosane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-
NS00109519
Database identifiers
- CAS
133310-72-2- PubChem CID
- 4339355
- DTXSID
DTXSID20402082- Nikkaji
- J2.130.255D
Properties
Computed structural properties
- XLogP
- 13.2
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 19
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 725
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 1 · 1-(Perfluoro-n-octyl)tetradecane (133310-72-2)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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