6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyloctane-3,5-dione;praseodymium
Basic information
- CAS
17978-77-7- Standard SMILES
CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F.CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F.[Pr]- InChIKey
OPGIEDWVFPRSJA-UHFFFAOYSA-N- Molecular formula
- C30H33F21O6Pr
- Average molar mass
- 1,029.5 g/mol
- Monoisotopic mass
- 1,029.10184
Names & identifiers
- Preferred name
- 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyloctane-3,5-dione;praseodymium
- IUPAC
- tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione);praseodymium
- English name
- Pr(fod)3
- Molecular formula
- C30H30F21O6Pr
- Molecular weight
- 1026.44
Names & synonyms
6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione;praseodymiumNSC-379436RondeausPr(fod)3resolve-al prfodRONDEAU'S REAGENTPRASEODYMIUM(FOD)PRASEODYMIUM (FOD)3RESOLVE-AL(TM) PRFODRESOLVE-AL PRFOD 99+%PR(FOD)3 ISO 9001：2015 REACHPraseodymiumheptafluorodimethyloctanedionate
Database identifiers
- CAS
17978-77-7- PubChem CID
- 435937
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 27
- Rotatable bonds
- 9
- Heavy atoms
- 58
- Formal charge
- 0
- Complexity
- 1,310
Physicochemical properties
- Melting point
- 215 · 215-219 °C(lit.)
- Boiling point
- 130 °C · 130°C 0,01mm
- solubility
- Soluble in hexane, methanol, tetrahydrofuran.
- form
- Powder
- color
- light green
- Sensitive
- Hygroscopic
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- EPA Substance Registry System
- Praseodymium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-.kappa.O,.kappa.O')- (17978-77-7)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- TSCA
- TSCA listed
- HS Code
- 2931.9 · 2931.90.9051
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2931.90.9051
- risk_code
- 36/37/38
- safety_code
- 24/25
Chemistry & industry
Applications
UsesTris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)praseodymium(III) is an NMR shift reagent. Being a lanthanide Tris(β-diketonate), Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)praseodymium(III) is used as a probe for chirality determination of biological amino alcohols via ligand-to-ligand chirality transfer.
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Compound notes
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