Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-(trifluoromethyl)-, ammonium salt (1:1)
Basic information
- CAS
3658-62-6- Standard SMILES
N.O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
ORBBVPFDROYXQS-UHFFFAOYSA-N- Molecular formula
- C9H4F17NO2
- Average molar mass
- 481.11 g/mol
- Monoisotopic mass
- 480.9970571
Overview
See also: Ammonium perfluorononanoate (preferred).
Names & identifiers
- Preferred name
- Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-(trifluoromethyl)-, ammonium salt (1:1)
- IUPAC
- azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acid
- English name
- ammonium tetradecafluoro-7-(trifluoromethyl)octanoate
- Molecular formula
- C9H4F17NO2
- Molecular weight
- 481.1064144
Names & synonyms
EINECS 222-906-7SCHEMBL235726C9H4F17NO2MFCD01711619AKOS005259944Q3899823Octanoic acid, tetradecafluoro-7-(trifluoromethyl)-, ammonium saltammonia;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acidazane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoic acidOctanoic acid, 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-(trifluoromethyl)-, ammonium saltOctanoic acid, 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-(trifluoromethyl)-, ammonium salt (1:1)ammonium tetradecafluoro-7-(trifluoromethyl)octanoate
Show more names
2,2,3,3,4,4,5,5,6,6,7,8,8,8-Tetradecafluoro-7-(trifluoromethyl)octanoic acid ammonium salt
Database identifiers
- CAS
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 20
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 615
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> non-polymer
Physicochemical properties
- EPA Substance Registry System
- -7 · Ammonium tetradecafluoro-7-(trifluoromethyl)octanoate (3658-62-6)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Usesnon-polymer PFAS -> Cleaning compositions -> Cleaning compositions for glass
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Suppliers
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Related reactions
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Compound notes
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