Basic information
- CAS
65510-55-6- Standard SMILES
FC(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)C(F)(F)CCI- InChIKey
KHGHLOYBMLYJPS-UHFFFAOYSA-N- Molecular formula
- C16H4F29I
- Average molar mass
- 874.06 g/mol
- Monoisotopic mass
- 873.88946
Names & identifiers
- Preferred name
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-Nonacosafluoro-16-iodohexadecane
- IUPAC
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluoro-16-iodohexadecane
- English name
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluoro-16-iodohexadecane
- Molecular formula
- C16H4F29I
- Molecular weight
- 874.06
Names & synonyms
65510-55-61,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-Nonacosafluoro-16-iodohexadecane2-(Perfluorotetradecyl)-1-iodoethaneHexadecane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluoro-16-iodo-1,1,2,2-Tetrahydroperfluorohexadecyl iodideDTXSID4070322RefChem:409337265-800-6EINECS 265-800-6SCHEMBL3774988C16 Gamma-Omega Perfluoro Iodine14:2 FTI
Show more names
1-Iodo-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-nonacosafluorohexadecane
Perfluorotetradecylethyl IodideDISCONTINUEDNS00011025
Database identifiers
- CAS
65510-55-6
Properties
Computed structural properties
- XLogP
- 11.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 29
- Rotatable bonds
- 14
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,090
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 321.2 · 321.2±10.0 °C(Predicted)
- Density
- 1.859 · 1.859±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · Hexadecane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluoro-16-iodo- (65510-55-6)
- TSCA
- TSCA listed
Safety & regulation
Hazard information
Regulatory Information
S - indicates a substance that is identified in a final Significant New Use Rule.
Substance: 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluoro-16-iodohexadecane
Hexadecane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluoro-16-iodo-: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationHexadecane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-nonacosafluoro-16-iodo-: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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