Phosphinic acid, dibutyl-, 4-(2,2,3,3,4,4,4-heptafluorobutyl)phenyl ester
Basic information
- CAS
7526-47-8- Standard SMILES
CCCCP(=O)(CCCC)Oc1ccc(CC(F)(F)C(F)(F)C(F)(F)F)cc1- InChIKey
UKLAQVBZLGYWDP-UHFFFAOYSA-N- Molecular formula
- C18H24F7O2P
- Average molar mass
- 436.3 g/mol
- Monoisotopic mass
- 436.14021414
Names & identifiers
- Preferred name
- Phosphinic acid, dibutyl-, 4-(2,2,3,3,4,4,4-heptafluorobutyl)phenyl ester
- IUPAC
- 1-dibutylphosphoryloxy-4-(2,2,3,3,4,4,4-heptafluorobutyl)benzene
- English name
- Dibutylphosphinic acid p-(2,2,3,3,4,4,4-heptafluorobutyl)phenyl ester
- Molecular weight
- 0
Names & synonyms
7526-47-8BRN 2023747Phosphinic acid, dibutyl-, 4-(2,2,3,3,4,4,4-heptafluorobutyl)phenyl ester4-(2,2,3,3,4,4,4-Heptafluorobutyl)phenyl dibutyl-phosphinateDTXSID70226230RefChem:370216DTXCID701487214-(2,2,3,3,4,4,4-Heptafluorobutyl)phenyl dibutylphosphinateUKLAQVBZLGYWDP-UHFFFAOYSA-NDibutylphosphinic acid p-(2,2,3,3,4,4,4-heptafluorobutyl)phenyl esterNS00111206
Database identifiers
- CAS
7526-47-8- PubChem CID
- 202121
- DTXSID
DTXSID70226230- Nikkaji
- J50.249I
Properties
Computed structural properties
- XLogP
- 6.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 11
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 503
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
Physicochemical properties
- EPA Substance Registry System
- 4 · Phosphinic acid, dibutyl-, 4-(2,2,3,3,4,4,4-heptafluorobutyl)phenyl ester (7526-47-8)
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
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Related reactions
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Compound notes
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