Copper;ethyl 3-oxobutanoate
Basic information
- CAS
14284-06-1- Standard SMILES
CCOC(=O)CC(C)=O.CCOC(=O)CC(C)=O.[Cu]- InChIKey
AUBDNJOVKJMDLN-UHFFFAOYSA-N- Molecular formula
- C12H20CuO6
- Average molar mass
- 323.83 g/mol
- Monoisotopic mass
- 323.055585
Names & identifiers
- Preferred name
- Copper;ethyl 3-oxobutanoate
- IUPAC
- copper;bis(ethyl 3-oxobutanoate)
- English name
- Copper(II) ethylacetoacetate
- Molecular formula
- C12H18CuO6
- Molecular weight
- 321.81
Names & synonyms
copper;ethyl 3-oxobutanoateCOPPER(II) ETHYLACETOACETATECopper, diethyl esterCopper,O3)-Copper ethylacetoacetateCopper, tetraethyl esterCopper,3-butanedionato)-NSC244773NSC-244773bis(ethylacetylacetate)copperBis(ethoxycarbonylacetonato)copperCUPRIC ETHYLACETOACETATE
Show more names
Bis(ethyl acetoacetato)copperCopper(II)ethylacetoacetate,99%Copper, bis(ethyl acetoacetato)-copper(II) ethylacetoacetate 97%Copper(Ii)Ethylacetoacetate,>98%
Database identifiers
- CAS
14284-06-1- PubChem CID
- 428901
Properties
Computed structural properties
- Topological polar surface area
- 86.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Melting point
- 192 °C · 192°C
- storage temp.
- 2 · 2-8°C, protect from light, stored under nitrogen
- solubility
- Soluble in ethanol
- form
- Powder
- color
- green to blue
- Water Solubility
- 10 · soluble EtOH, chloroform [CRC10]
- Hydrolytic Sensitivity
- 4 · 4: no reaction with water under neutral conditions
- Exposure limits
- 1 mg/m3NIOSH: · ACGIH: TWA 1 mg/m3NIOSH: IDLH 100 mg/m3; TWA 1 mg/m3
- InChI
- 1S/2C6H10O3.Cu/c2*1-3-5(4(2)7)6(8)9;/h2*5H,3H2,1-2H3,(H,8,9);/q;;+2/p-2
- InChIKey
- BWRKZNDMFFOZJB-UHFFFAOYSA-L
- SMILES
- CCC(C(C)=O)C(=O)O[Cu]OC(=O)C(CC)C(C)=O
- CAS DataBase Reference
- 14284 · 14284-06-1(CAS DataBase Reference)
- EPA Substance Registry System
- 3 · Copper, bis[ethyl 3-(oxo-.kappa.O)butanoato-.kappa.O']- (14284-06-1)
- UNSPSC Code
- 12161600 · 12161600
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
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesCopper(II) ethylacetoacetate it acts as a common cu(+2) precursor. It is also used in chemical research.
UsesFungicide, intermediate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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