6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyloctane-3,5-dione;silver
Basic information
- CAS
76121-99-8- Standard SMILES
CC(C)(C)C(=O)CC(=O)C(F)(F)C(F)(F)C(F)(F)F.[Ag]- InChIKey
AGHGGIAOTGPSQB-UHFFFAOYSA-N- Molecular formula
- C10H11AgF7O2
- Average molar mass
- 404.05 g/mol
- Monoisotopic mass
- 402.96982
Names & identifiers
- Preferred name
- 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyloctane-3,5-dione;silver
- IUPAC
- 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione;silver
- English name
- (6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedionato)silver
- Molecular formula
- C10H10AgF7O2
- Molecular weight
- 403.05
Names & synonyms
76121-99-86,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione;silverNSC174892NSC-174892Silver,6,7,7,8,8,8-heptafluoro-3,5-octanedionato-O,O')-AG(FOD)SILVER(I)-FODRESOLVE-AL(TM) AGFODRESOLVE-AL AGFOD, 99%Resolve-Al(TM) AgFOD 99%silver heptafluorodimethyloctanedionate6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octaned
Show more names
6,6,7,7,8,8,8-HEPTAFLUORO-2,2-DIMETHYL*3 ,5-OCTANEDI(6,6,7,7,8,8,8-HEPTAFLUORO-2,2-DIME.-3,5 -OCTANEDION.)SILVER(6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedionato)silver
Database identifiers
- CAS
76121-99-8- PubChem CID
- 425550
Properties
Computed structural properties
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 382
Physicochemical properties
- Melting point
- 160 °C · 160 °C (dec.)(lit.)
- form
- Fine Crystalline Powder
- color
- Green-brown to brown
- InChI
- 1S/C10H11F7O2.Ag/c1-7(2,3)5(18)4-6(19)8(11,12)9(13,14)10(15,16)17;/h4,18H,1-3H3;/q;+1/p-1/b5-4-;
- InChIKey
- HBFPETJZCPEQFV-MKWAYWHRSA-M
- SMILES
- CC(C)(C)\C(O[Ag])=C\C(=O)C(F)(F)C(F)(F)C(F)(F)F
- EPA Substance Registry System
- Silver, (6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionato-?O3,?O5)- (76121-99-8)
- UNSPSC Code
- 12352103 · 12352103
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 24 · 24/25
- WGK Germany
- 3 · 3
- F
- 3 · 3-8-10-23
- TSCA
- No
- HS Code
- 29310099 · 29310099
- Storage Class
- 11 · 11 - Combustible Solids
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
- F
- 3-8-10-23
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- No
- hs_code
- 29310099
- risk_code
- 36/37/38
- safety_code
- 24/25
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesWhen used in conjunction with a lanthanide shift reagent, provides an efficient NMR shift reagent for aromatic compounds, ammonium salts, and sulfonium and isothiouronium halides.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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