Iron;2,2,6,6-tetramethylheptane-3,5-dione
Basic information
- CAS
14876-47-2- Standard SMILES
CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.CC(C)(C)C(=O)CC(=O)C(C)(C)C.[Fe]- InChIKey
DAYRMUIPBVGVLS-UHFFFAOYSA-N- Molecular formula
- C33H60FeO6
- Average molar mass
- 608.7 g/mol
- Monoisotopic mass
- 608.373925
Names & identifiers
- Preferred name
- Iron;2,2,6,6-tetramethylheptane-3,5-dione
- IUPAC
- iron;tris(2,2,6,6-tetramethylheptane-3,5-dione)
- English name
- Tris(2,2,6,6-tetramethyl-3,5-heptanedionato)iron(III)
- Molecular formula
- C33H57FeO6
- Molecular weight
- 605.65
Names & synonyms
iron;2,2,6,6-tetramethylheptane-3,5-dioneNSC148943Iron(III) tetramethylheptanedionateNSC-148943Fe(dpm)3FE(TMHD)3IRON TMHD-3,5-heptanedionato)iron(III)IRON III TETRAMETHYLHEPTANEDIONATE(E)-5-hydroxy-2,2,6,6-tetramethylhept-4-en-3-oneIron(III) 2,2,6,6-tetramethylheptane-3,5-dionateIRON TRIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATE)
Show more names
Tris(2,2,6,6tetramethyl-3,5-heptanedionato)iron(Ⅲ)
Database identifiers
- CAS
14876-47-2- PubChem CID
- 422908
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 693
Physicochemical properties
- Melting point
- 179 · 179-185 °C(lit.)
- Boiling point
- 300 °C · 300°C
- Flash point
- 300 °C · 300°C
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2-8°C
- form
- crystal
- color
- red
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- Sensitive
- Hygroscopic
- InChI
- 1S/3C11H20O2.Fe/c3*1-10(2,3)8(12)7-9(13)11(4,5)6;/h3*7,12H,1-6H3;/q;;;+3/p-3/b2*8-7+;8-7-;
- InChIKey
- NXBJVTQWYMSPSJ-GECNZSFWSA-K
- SMILES
- CC(C)(C)C(=O)\C=C(\O[Fe](O\C(=C\C(=O)C(C)(C)C)C(C)(C)C)O\C(=C/C(=O)C(C)(C)C)C(C)(C)C)C(C)(C)C
- UNSPSC Code
- 12352300 · 12352300
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
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
- PPE
- dust mask type N95 (US), Eyeshields, Gloves
- wgk
- 3
- tsca
- No
- hs_code
- 2914199090
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338-P280g
Chemistry & industry
Applications
UsesPrecursor for the formation of BaFe12O19 thin films on Al2O3 (0001) substrates in preferential orientation with the c-axis perpendicular to the substrate. Precursor for aerosol-assisted CVD of mixed-conducting ceramic films of Sr-Co-Fe perovskite phases.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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