Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')gadolinium

Base Information

• Chemical Name: Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')gadolinium
• CAS No.: 14768-15-1
• Molecular Formula: C33H57GdO6
• Molecular Weight: 707.05
• European Community (EC) Number: 238-834-4
• Mol file: 14768-15-1.mol

Synonyms:Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')gadolinium;EINECS 238-834-4;14768-15-1;C33H57GdO6;gadolinium(3+);(Z)-2,2,6,6-tetramethyl-5-oxohept-3-en-3-olate;Gd(tmhd)3;C33-H57-Gd-O6;GADOLINIUM(III)-DPM;AKOS025401821;NSC 174898;AC-26290

Chemical Property of Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')gadolinium

Chemical Property:

• Appearance/Colour: white to off-white crystals or crystalline powder
• Melting Point: 182-184 °C(lit.)
• Boiling Point: 295 °C
• Flash Point: 109.7oC
• PSA: 102.42000
• LogP: 7.82070
• Sensitive.: Hygroscopic
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 9
• Exact Mass: 707.33963
• Heavy Atom Count: 40
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)gadolinium(III), 99% (99.9%-Gd) (REO) [Gd(TMHD)3] ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 24/25-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].CC(C)(C)C(=CC(=O)C(C)(C)C)[O-].[Gd+3]
• Isomeric SMILES: CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.CC(/C(=C/C(=O)C(C)(C)C)/[O-])(C)C.[Gd+3]