Basic information
- CAS
17631-67-3- 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.[Gd]- InChIKey
UMIVDOMHJNCLPX-UHFFFAOYSA-N- Molecular formula
- C30H33F21GdO6
- Average molar mass
- 1,045.8 g/mol
- Monoisotopic mass
- 1,046.11829
Names & identifiers
- Preferred name
- Gadolinium;tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione)
- IUPAC
- gadolinium;tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione)
- English name
- Gadolinium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate
- Molecular formula
- C30H30F21GdO6
- Molecular weight
- 1042.78
Names & synonyms
NSC379485NSC-379485GD(FOD)3GADOLINIUM FODresolve-al gdfodResolve-AlTM GdFODSODIUM NITRITE 97+% A.C.S. REAGENTtris-6-6-7-7-8-8-8-heptafluoro-2-2*dimethyl-3-5-Ogadolinium(III) tris(heptafluorodimethyloctanedionate)Gadolinium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionateGADOLINIUM TRIS(6,6,7,7,8,8,8-HEPTAFLUORO-2,2-DIMETHYL-3,5-OCTANEDIONATE)
Database identifiers
- CAS
17631-67-3- PubChem CID
- 435940
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
- 138 °C · 138°C (dec.)
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- EPA Substance Registry System
- Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato)gadolinium(III) (17631-67-3)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
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
- risk_code
- 36/37/38
- safety_code
- 26-36
Chemistry & industry
Suppliers1 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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