Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dionato-O,O')praseodymium

Base Information

• Chemical Name: Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dionato-O,O')praseodymium
• CAS No.: 17978-77-7
• Molecular Formula: C30H30 F21 O6 Pr
• Molecular Weight: 1029.4535
• European Community (EC) Number: 241-902-6
• Mol file: 17978-77-7.mol

Synonyms:NSC 379436;EINECS 241-902-6;NSC379436;Praseodymium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-kappaO,kappaO')-;Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dionato-O,O')praseodymium;C30H30F21O6Pr;Praseodymium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-.kappa.O,.kappa.O')-;Praseodymium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-kappaO3,kappaO5)-;C30-H30-F21-O6-Pr;Praseodymium, tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-O,O')-;Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)praseodymium(III) [NMR Shift Reagent]

Chemical Property of Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dionato-O,O')praseodymium

Chemical Property:

• Vapor Pressure: 0.0812mmHg at 25°C
• Melting Point: 215-219oC
• Boiling Point: 172.7°Cat760mmHg
• Flash Point: 75.5°C
• PSA: 78.90000
• Density: g/cm³
• LogP: 11.31580
• Sensitive.: Hygroscopic
• Solubility.: Soluble in hexane, methanol, tetrahydrofuran.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 27
• Rotatable Bond Count: 12
• Exact Mass: 1026.07836
• Heavy Atom Count: 58
• Complexity: 388

Purity/Quality:

98%,99%, ^*data from raw suppliers

Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)praseodymium(III) ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].CC(C)(C)C(=CC(=O)C(C(C(F)(F)F)(F)F)(F)F)[O-].[Pr+3]
• Isomeric SMILES: CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/[O-])(C)C.CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/[O-])(C)C.CC(/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)/[O-])(C)C.[Pr+3]
• Uses: Tris(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.