Basic information
- CAS
3658-63-7- 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)C(F)(F)C(F)(F)F- InChIKey
SPNFQXXYDXWCJV-UHFFFAOYSA-N- Molecular formula
- C11H4F21NO2
- Average molar mass
- 581.12 g/mol
- Monoisotopic mass
- 580.9906698
Names & identifiers
- Preferred name
- Ammonium octadecfluoro-9-(trifluoromethyl)decanoate
- IUPAC
- azane;2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-henicosafluoroundecanoic acid
- English name
- ammonium octadecafluoro-9-(trifluoromethyl)decanoate
- Molecular formula
- C11H4F21NO2
- Molecular weight
- 581.1214272
Names & synonyms
Ammonium octadecfluoro-9-(trifluoromethyl)decanoateSCHEMBL814268EINECS 222-907-2Decanoic acid, octadecafluoro-9-(trifluoromethyl)-, ammonium saltDecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-octadecafluoro-9-(trifluoromethyl)-, ammonium saltammonium octadecafluoro-9-(trifluoromethyl)decanoate2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-Octadecafluoro-9-(trifluoromethyl)decanoic acid ammonium saltDecanoic acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,10,10,10-octadecafluoro-9-(trifluoromethyl)-, ammonium salt (1:1)
Database identifiers
- CAS
3658-63-7- PubChem CID
- 77221
Properties
Computed structural properties
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 24
- Rotatable bonds
- 9
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 789
Experimental & physicochemical properties
PFASPFAS -> OECD Category
Physicochemical properties
- EPA Substance Registry System
- -9 · Ammonium octadecfluoro-9-(trifluoromethyl)decanoate (3658-63-7)
- 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
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Suppliers1 total
陕西缔都医药有限责任公司81148925 17391631969 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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