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| CAS No.: | 14768-15-1 |
|---|---|
| Name: | GD(TMHD)3 |
| Molecular Structure: | |
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| Formula: | C33H57GdO6 |
| Molecular Weight: | 707.05 |
| Synonyms: | Gadolinium,tris(2,2,6,6-tetramethyl-3,5-heptanedionato)- (7CI,8CI);Gadolinium, tris(2,2,6,6-tetramethyl-3,5-heptanedionato-O,O')-,(OC-6-11)-;Gadolinium, tris(2,2,6,6-tetramethyl-3,5-heptanedionato-kO,kO')-, (OC-6-11)- (9CI);3,5-Heptanedione,2,2,6,6-tetramethyl-, gadolinium complex;Gadolinium tris(dipivaloylmethanate);Resolve-Al Gd;Tris(dipivaloylmethanato)gadolinium; |
| EINECS: | 238-834-4 |
| Melting Point: | 182-184 °C(lit.) |
| Boiling Point: | 295 °C |
| Flash Point: | 109.7oC |
| Appearance: | white to off-white crystals or crystalline powder |
| Hazard Symbols: | Xi |
| Risk Codes: | 36/37/38 |
| Safety: | 24/25 |
| PSA: | 102.42000 |
| LogP: | 7.82070 |
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Specification
The Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')gadolinium, with the CAS registry number 14768-15-1, is also known as Tris(dipivaloylmethanato)gadolinium. It belongs to the product categories of Metal Beta-diketonate Complexes. Its EINECS registry number is 238-834-4. This chemical's molecular formula is C33H57GdO6 and molecular weight is 707.05. What's more, its systematic name is called Gadolinium tris(2,2,6,6-tetramethyl-5-oxo-3-hepten-3-olate). It should be stored in a cool, dry and well-ventilated place. When you are dealing with this chemical, you should avoid contacting with skin and eyes.
Physical properties about Tris(2,2,6,6-tetramethylheptane-3,5-dionato-O,O')gadolinium are: (1)#H bond acceptors: 6; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 15; (4)Polar Surface Area: 78.9 Å2.
You can still convert the following datas into molecular structure:
(1) SMILES: CC(C)(C)C(=CC(=O)C(C)(C)C)O[Gd](OC(=CC(=O)C(C)(C)C)C(C)(C)C)OC(=CC(=O)C(C)(C)C)C(C)(C)C
(2) InChI: InChI=1S/3C11H20O2.Gd/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;;;+3/p-3
(3) InChIKey: DPHFYRREQBVMBY-UHFFFAOYSA-K