1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Tetracosafluoro-12-iodo-2-(trifluoromethyl)dodecane
Basic information
- CAS
3248-61-1- 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)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I- InChIKey
UHFPYSDLCDSLDC-UHFFFAOYSA-N- Molecular formula
- C13F27I
- Average molar mass
- 796 g/mol
- Monoisotopic mass
- 795.86136
Names & identifiers
- Preferred name
- 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Tetracosafluoro-12-iodo-2-(trifluoromethyl)dodecane
- IUPAC
- 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-12-iodo-2-(trifluoromethyl)dodecane
- English name
- 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-12-iodo-2-(trifluoromethyl)dodecane
- Molecular formula
- C13F27I
- Molecular weight
- 796
Names & synonyms
1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-Tetracosafluoro-12-iodo-2-(trifluoromethyl)dodecane3248-61-1Tetracosafluoro-1-iodo-11-(trifluoromethyl)dodecaneDodecane, tetracosafluoro-1-iodo-11-(trifluoromethyl)-DTXSID4062933Dodecane, 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-12-iodo-2-(trifluoromethyl)-RefChem:1113309221-829-6EINECS 221-829-6Perfluoro-2-methyl-12-iodododecaneNS00011179
Database identifiers
- CAS
3248-61-1- PubChem CID
- 76736
- DTXSID
DTXSID4062933- EC Number
- 221-829-6
- Nikkaji
- J262.356K
Properties
Computed structural properties
- XLogP
- 10.1
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 27
- Rotatable bonds
- 10
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 949
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 254.1 · 254.1±8.0 °C(Predicted)
- Density
- 1.943 · 1.943±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · Dodecane, 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-12-iodo-2-(trifluoromethyl)- (3248-61-1)
- 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 Information
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-12-iodo-2-(trifluoromethyl)dodecane
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationDodecane, 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-tetracosafluoro-12-iodo-2-(trifluoromethyl)-: INACTIVE
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Related reactions
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Compound notes
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