2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Docosafluoro-11-(trifluoromethyl)dodecanoyl fluoride
Basic information
- CAS
15811-52-6- Standard SMILES
O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(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
KRIKPLSQWRBSRS-UHFFFAOYSA-N- Molecular formula
- C13F26O
- Average molar mass
- 666.1 g/mol
- Monoisotopic mass
- 665.9533968
Names & identifiers
- Preferred name
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Docosafluoro-11-(trifluoromethyl)dodecanoyl fluoride
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)dodecanoyl fluoride
- English name
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)dodecanoyl fluoride
- Molecular formula
- C13F26O
- Molecular weight
- 666.1
Names & synonyms
15811-52-62,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Docosafluoro-11-(trifluoromethyl)dodecanoyl fluoridePerfluoro-11-methyldodecanoyl fluorideDTXSID4065949Dodecanoyl fluoride, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)-RefChem:1113334239-909-4EINECS 239-909-4Dodecanoyl fluoride, docosafluoro-11-(trifluoromethyl)-2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)dodecanoyl fluoriNS000112712,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-Docosafluoro-11-(trifluoromethyl)lauric acid fluoride
Database identifiers
- CAS
15811-52-6- PubChem CID
- 85118
- DTXSID
DTXSID4065949- EC Number
- 239-909-4
- Nikkaji
- J248.774H
Properties
Computed structural properties
- XLogP
- 8.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 27
- Rotatable bonds
- 10
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 948
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 88 °C · 88 °C(Press: 7 Torr)
- Density
- 1.741 · 1.741±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · Dodecanoyl fluoride, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)- (15811-52-6)
- 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 InformationDodecanoyl fluoride, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-docosafluoro-11-(trifluoromethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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