Basic information
- CAS
15899-31-7- Standard SMILES
O=C(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
WIXVASFEKZIRFM-UHFFFAOYSA-N- Molecular formula
- C9HF17O2
- Average molar mass
- 464.08 g/mol
- Monoisotopic mass
- 463.970508
Names & identifiers
- Preferred name
- Octanoic acid, 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-(trifluoromethyl)-
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-(trifluoromethyl)octanoic acid
- English name
- tetradecafluoroisononanoic acid
- Molecular formula
- C9HF17O2
- Molecular weight
- 464.08
Names & synonyms
Tetradecafluoro-7-(trifluoromethyl)octanoic acidOctanoic acid, 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-(trifluoromethyl)-EINECS 240-036-6Octanoic acid, tetradecafluoro-7-(trifluoromethyl)-RefChem:855976Tetradecafluoroisononanoic acid15899-31-72,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-(trifluoromethyl)octanoic acidPerfluoro-6-methylheptanecarboxylic acidperfluoro-7-methyloctanoic acidDTXSID2065969SCHEMBL10799668
Show more names
Perfluoro-7-methyloctanoic Acid DISCONTINUED
NS00011265Perfluoro-7-methyloctanoic AcidDISCONTINUED
Database identifiers
- CAS
15899-31-7- PubChem CID
- 85176
- DTXSID
DTXSID2065969
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 19
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 597
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- Boiling point
- 75 · 75-76 °C(Press: 3.5-4.0 Torr)
- Density
- 1.753 · 1.753±0.06 g/cm3(Predicted)
- pka
- 0.52 · 0.52±0.10(Predicted)
- EPA Substance Registry System
- -7 · Tetradecafluoro-7-(trifluoromethyl)octanoic acid (15899-31-7)
- 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.
Hazard information
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationOctanoic acid, 2,2,3,3,4,4,5,5,6,6,7,8,8,8-tetradecafluoro-7-(trifluoromethyl)-: INACTIVE
Applications
UsesPerfluoro-7-methyloctanoic Acid is an organic environmental chemical pollutant belong to the class of PFCs.
Suppliers3 total
泰州市众致生物科技有限公司[email protected] 15066129350 · [email protected]
北京科易通达科技发展有限公司17743531240 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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