2,2,3,3,4,4,4-Heptafluorobutyl diphenylphosphinate
Basic information
- CAS
55776-72-2- Standard SMILES
O=P(OCC(F)(F)C(F)(F)C(F)(F)F)(c1ccccc1)c1ccccc1- InChIKey
XTMMQBINMKHYNZ-UHFFFAOYSA-N- Molecular formula
- C16H12F7O2P
- Average molar mass
- 400.23 g/mol
- Monoisotopic mass
- 400.04631375
Names & identifiers
- Preferred name
- 2,2,3,3,4,4,4-Heptafluorobutyl diphenylphosphinate
- IUPAC
- [2,2,3,3,4,4,4-heptafluorobutoxy(phenyl)phosphoryl]benzene
Names & synonyms
2,2,3,3,4,4,4-HEPTAFLUOROBUTYL DIPHENYLPHOSPHINATE55776-72-2DTXSID90896717RefChem:242628DTXCID601326207NS00112200
Database identifiers
- CAS
55776-72-2- PubChem CID
- 2249238
- DTXSID
DTXSID90896717
Properties
Computed structural properties
- XLogP
- 5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 487
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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