Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl) phosphate
Basic information
- CAS
93857-55-7- Standard SMILES
O=P(O)(OCCC(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)(C(F)(F)F)C(F)(F)F)OCCC(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)(C(F)(F)F)C(F)(F)F- InChIKey
PIWWVQNNYGQYGW-UHFFFAOYSA-N- Molecular formula
- C26H9F46O4P
- Average molar mass
- 1,290.2 g/mol
- Monoisotopic mass
- 1,289.9503912
Names & identifiers
- Preferred name
- Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl) phosphate
- IUPAC
- bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] hydrogen phosphate
Names & synonyms
EINECS 299-190-893857-55-7Bis(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl) phosphateBis((perfluoro-9-methyldecyl)ethyl) phosphateDTXSID00881114bis[3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,12,12,12-icosafluoro-11-(trifluoromethyl)dodecyl] hydrogen phosphate
Database identifiers
- CAS
93857-55-7- PubChem CID
- 3022263
- DTXSID
DTXSID00881114- EC Number
- 299-190-8
- Nikkaji
- J317.682G
Properties
Computed structural properties
- XLogP
- 15.3
- Topological polar surface area
- 55.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 50
- Rotatable bonds
- 24
- Heavy atoms
- 77
- Formal charge
- 0
- Complexity
- 1,950
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
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Related reactions
0 records
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Compound notes
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