1,1,1,2,2,3,4,5,5,6,6,6-Dodecafluoro-3,4-bis(trifluoromethyl)hexane
Basic information
- CAS
1735-48-4- Standard SMILES
FC(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)F- InChIKey
AILNJPONTDNFHN-UHFFFAOYSA-N- Molecular formula
- CF3CF2(CF(CF3))2CF2CF3
- Average molar mass
- 438.06 g/mol
- Monoisotopic mass
- 437.9712569
Names & identifiers
- Preferred name
- 1,1,1,2,2,3,4,5,5,6,6,6-Dodecafluoro-3,4-bis(trifluoromethyl)hexane
- IUPAC
- 1,1,1,2,2,3,4,5,5,6,6,6-dodecafluoro-3,4-bis(trifluoromethyl)hexane
- English name
- 1,1,1,2,2,3,4,5,5,6,6,6-dodecafluoro-3,4-bis(trifluoromethyl)hexane
- Molecular formula
- C8F18
- Molecular weight
- 438.0568576
Names & synonyms
1,1,1,2,2,3,4,5,5,6,6,6-Dodecafluoro-3,4-bis(trifluoromethyl)hexane1735-48-4Perfluoro-3,4-dimethylhexaneEINECS 217-079-4LAJ9NWW9KVSCHEMBL9538344DTXSID90880151FD98233NS00018820Hexane,dodecafluoro-3,4-bis(trifluoromethyl)-Hexane, 1,1,1,2,2,3,4,5,5,6,6,6-dodecafluoro-3,4-bis(trifluoromethyl)-
Database identifiers
- CAS
1735-48-4- PubChem CID
- 102157
- DTXSID
DTXSID90880151- UNII
- LAJ9NWW9KV
- EC Number
- 217-079-4
- Nikkaji
- J203.137J
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 18
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 465
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> non-polymer
PFAS -> Other Nonpolymers
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- -3 · Perfluoro-3,4-dimethylhexane (1735-48-4)
Chemistry & industry
Uses & manufacturing
Uses
non-polymer PFAS -> Coatings, Paints and Varnishes -> Coatings for food contact materials others than paper
• Coating composition for food contact materials/cookware [Ref: CAS2019 (CN109370426)]
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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