Tetradecane, 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-octacosafluoro-14-iodo-2-(trifluoromethyl)-
Basic information
- CAS
3248-63-3- 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)C(F)(F)C(F)(F)I- InChIKey
CCRYUWIVRLYGBO-UHFFFAOYSA-N- Molecular formula
- C15F31I
- Average molar mass
- 896.01 g/mol
- Monoisotopic mass
- 895.85497
Names & identifiers
- Preferred name
- Tetradecane, 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-octacosafluoro-14-iodo-2-(trifluoromethyl)-
- IUPAC
- 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-octacosafluoro-14-iodo-2-(trifluoromethyl)tetradecane
- English name
- octacosafluoro-14-iodo-2-(trifluoromethyl)tetradecane
- Molecular formula
- C15F31I
- Molecular weight
- 896.02
Names & synonyms
3248-63-3Tetradecane, 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-octacosafluoro-14-iodo-2-(trifluoromethyl)-Octacosafluoro-14-iodo-2-(trifluoromethyl)tetradecaneTetradecane, octacosafluoro-1-iodo-13-(trifluoromethyl)-DTXSID90629341,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-octacosafluoro-14-iodo-2-(trifluoromethyl)tetradecaneRefChem:1113579221-830-1EINECS 221-830-1Perfluoro-14-iodo-2-(methyl)tetradecaneNS00011182
Database identifiers
- CAS
3248-63-3- PubChem CID
- 76737
- DTXSID
DTXSID9062934- EC Number
- 221-830-1
- Nikkaji
- J262.357I
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 31
- Rotatable bonds
- 12
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,130
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physicochemical properties
- EPA Substance Registry System
- 1 · Tetradecane, 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-octacosafluoro-14-iodo-2-(trifluoromethyl)- (3248-63-3)
- 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: Octacosafluoro-14-iodo-2-(trifluoromethyl)tetradecane
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationTetradecane, 1,1,1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-octacosafluoro-14-iodo-2-(trifluoromethyl)-: INACTIVE
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Related reactions
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Compound notes
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