1,1,1,2,3,3,4,4,5,5,6,6,7,8,8,8-Hexadecafluoro-2,7-bis(trifluoromethyl)octane
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Basic information
- CAS
3021-63-4- Standard SMILES
FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
OBAVAMUHCSFDSY-UHFFFAOYSA-N- Molecular formula
- C10F22
- Average molar mass
- 538.07 g/mol
- Monoisotopic mass
- 537.9648696
Overview
structure given in first source
Names & identifiers
- Preferred name
- 1,1,1,2,3,3,4,4,5,5,6,6,7,8,8,8-Hexadecafluoro-2,7-bis(trifluoromethyl)octane
- IUPAC
- 1,1,1,2,3,3,4,4,5,5,6,6,7,8,8,8-hexadecafluoro-2,7-bis(trifluoromethyl)octane
- English name
- PERFLUORO-2,7-DIMETHYLOCTANE
- Molecular formula
- C10F22
- Molecular weight
- 538.07
Names & synonyms
3021-63-4Perfluoroalcane-C81,1,1,2,3,3,4,4,5,5,6,6,7,8,8,8-Hexadecafluoro-2,7-bis(trifluoromethyl)octaneRefChem:906559PERFLUORO-2,7-DIMETHYLOCTANEOctane,1,1,1,2,3,3,4,4,5,5,6,6,7,8,8,8-hexadecafluoro-2,7-bis(trifluoromethyl)-MFCD00233699SCHEMBL62446DTXSID00184314AKOS025310356FP78799DB-231632
Show more names
Perfluoro-2,7-dimethyloctane97%Perfluoro-2,7-dimethyloctane 97%
NS00018903F0094622,7-Bis(trifluoromethyl)-1,1,1,2,3,3,4,4,5,5,6,6,7,8,8,8-HexadecafluorooctaneOctane, 1,1,1,2,3,3,4,4,5,5,6,6,7,8,8,8-hexadecafluoro-2,7-bis(trifluoromethyl)-
Database identifiers
- CAS
3021-63-4- PubChem CID
- 18184
- DTXSID
DTXSID00184314- Nikkaji
- J850.878J
Properties
Computed structural propertiesFilling in
- XLogP
- 7.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 591
Experimental & physicochemical properties
PFAS
PFAS -> non-polymer
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 144 °C · 144 °C
- Density
- 1.848 · 1.848
- refractive index
- 1.283 · 1.283
- EPA Substance Registry System
- -2 · Perfluoro-2,7-dimethyloctane (3021-63-4)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2903493090 · 2903493090
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
- hs_code
- 2903493090
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Uses & manufacturing
Usesnon-polymer PFAS -> Production of Plastic and rubber -> Mold release agent in general
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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