Basic information
- CAS
261503-40-6- Standard SMILES
O=C(CC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F- InChIKey
WNIYZRDLOGYCIO-UHFFFAOYSA-N- Molecular formula
- C8H2F12O2
- Average molar mass
- 358.08 g/mol
- Monoisotopic mass
- 357.9863172
Names & identifiers
- Preferred name
- 1,1,1,5,5,6,6,7,7,8,8,8-Dodecafluorooctane-2,4-dione
- IUPAC
- 1,1,1,5,5,6,6,7,7,8,8,8-dodecafluorooctane-2,4-dione
- English name
- 3H,3H-Perfluorooctane-2,4-dione
- Molecular formula
- C8H2F12O2
- Molecular weight
- 358.08
Names & synonyms
261503-40-61,1,1,5,5,6,6,7,7,8,8,8-dodecafluorooctane-2,4-dioneDTXSID40382155RefChem:212918DTXCID203331803H,3H-Perfluorooctane-2,4-dioneMFCD01075265SCHEMBL15271614WNIYZRDLOGYCIO-UHFFFAOYSA-NAKOS016015938NS001102071,1,1,5,5,6,6,7,7,8,8,8-Dodecafluoro-2,4-Octanedione
Show more names
3H,3H-PERFLUORO-2,4-OCTANEDIONE3H,3H-PERFLUOROOCTANE-2,4-DIONE, 97% MIN.2,4-Octanedione, 1,1,1,5,5,6,6,7,7,8,8,8-dodecafluoro-
Database identifiers
- CAS
261503-40-6- PubChem CID
- 2782575
- DTXSID
DTXSID40382155
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 14
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 457
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 156.1 · 156.1±35.0 °C(Predicted)
- Density
- 1.624 · 1.624±0.06 g/cm3(Predicted)
- pka
- 4.4 · 4.40±0.10(Predicted)
- EPA Substance Registry System
- 1 · 1,1,1,5,5,6,6,7,7,8,8,8-Dodecafluorooctane-2,4-dione (261503-40-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 280 · P280-P302+P352-P362+P364
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2914199090 · 2914199090
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
- 2914199090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P280-P302+P352-P362+P364
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Suppliers5 total
常州新氟化学有限公司0519-85528066; 13275212658 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
中科双航化学（大连）有限公司+86-411-66858498 13941194417 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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