Basic information
- CAS
864071-09-0- Standard SMILES
O=[13C](O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
SNGREZUHAYWORS-OUBTZVSYSA-N- Molecular formula
- C8HF15O2
- Average molar mass
- 415.06 g/mol
- Monoisotopic mass
- 414.9770565
Names & identifiers
- Preferred name
- Pentadecafluoro(1-13C)octanoic acid
- IUPAC
- 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro(113C)octanoic acid
- English name
- PERFLUORO-N-OCTANOIC ACID-1-13C
- Molecular formula
- C8HF15O2
- Molecular weight
- 415.08
Names & synonyms
864071-09-0Pentadecafluoro(1-13C)octanoic acidDTXSID70892570RefChem:367966DTXCID001079763Pentadecafluorooctanoic Acid-13CPerfluoro-n-octanoic acid-1-13C2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro(113C)octanoic acidC8HF15O2Perfluorooctanoic Acid-13C (1-13C); Octanoic-1-13C acid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro- (9CI)MFCD08460489SCHEMBL31681585
Show more names
Pinacolborane Impurity 27Perfluorooctanoic-1-13CacidPerfluorocaprylic acid-1-13COctanoic-1-13C acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluoro- (9CI)
AKOS025311294Pentadecafluoro(1-~13~C)octanoic acidNS00111362
Database identifiers
- CAS
864071-09-0- PubChem CID
- 45075705
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 530
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Physicochemical properties
- solubility
- DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- color
- White to Off-White
- EPA Substance Registry System
- Pentadecafluoro(1-13C)octanoic acid (864071-09-0)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Applications
UsesPentadecafluorooctanoic Acid-13C is an isotopomeric compound of Pentadecafluorooctanoic Acid (P268100). Pentadecafluorooctanoic Acid is used to produce fluoropolymers. It also exhibits a long half-life in human blood and interferes with the binding between liver-fatty acid binding protein and fatty acids.
Suppliers3 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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