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CAS No.: | 3264-82-2 |
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Name: | Bis(2,4-pentanediono)nickel |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C10H14NiO4 |
Molecular Weight: | 256.909 |
Synonyms: | Nickel,bis(2,4-pentanedionato)- (6CI,7CI,8CI);Nickel, bis(2,4-pentanedionato-O,O')-,(SP-4-1)-;Nickel, bis(2,4-pentanedionato-kO,kO')-, (SP-4-1)-(9CI);Acetylacetonatonickel(II);Bis(2,4-pentanedionato)nickel;Bis(acetylacetonate)nickel;Bis(acetylacetonato)nickel;Bis(acetylacetone)nickel;LC 5615;NSC 4657;Nacem Nickel;Niax LC 5615;Nickel bis(2,4-pentanedionate);Nickel bis(acetylacetonate);Nickel(II) acetoacetonate;Nickel(II) acetylacetonate;Nickelousacetylacetonate;Nickel,bis(2,4-pentanedionato-kO2,kO4)-, (SP-4-1)-; |
EINECS: | 221-875-7 |
Density: | 0.145 g/cm3 |
Melting Point: | 230 °C (dec.)(lit.) |
Boiling Point: | 187.6 °C at 760 mmHg |
Flash Point: | 71.9 °C |
Solubility: | Soluble in benzene, chloroform, carbon tetrachloride |
Appearance: | light green powder |
Hazard Symbols: | T,Xi,Xn |
Risk Codes: | 49-22-43-40 |
Safety: | 53-36/37/39-45-36/37 |
PSA: | 52.60000 |
LogP: | 1.92020 |
Conditions | Yield |
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In n-heptane N2; addn. of the starting Ni-compound to a solution of acetylacetone; immediate reaction;; filtration;; | 63% |
Conditions | Yield |
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In solid solid-state synthesis from NiCl2 (14.7 mmol) and NaCH3COCHCOCH3 (27.0 mmol) by mechanical activation (vibrating quartz vessel for 2 h at 5 Hz); transferring product into dry box under inert atmosphere;; vac. sublimation (0.1 torr) at 150-200°C bath temp.;; | 24% |
Conditions | Yield |
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In diethyl ether byproducts: (PhSi(OH)O)6; acetylacetone was added to Ni compd. in Et2O; stirred at room temp. for 50 min; filtered; washed (Et2O); filtrate concd.; C6H6 added; filtered; dried inair; mother liquor evapd.; dried (vac.); elem. anal.; | A 8.8% B n/a |
Conditions | Yield |
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byproducts: i-PrOH; Ni:enole=1:2; |
nickel methanolate
acetylacetone enol
nickel(II) acetylacetonate
Conditions | Yield |
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byproducts: MeOH; Ni:enole=1:2; |
nickel diacetate
acetylacetone
nickel(II) acetylacetonate
Conditions | Yield |
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With sodium acetate In ethanol dissolving Ni-acetate in ethanol; addn. of stoich. amt. of acetylacetone in a soln. of sodium acetate; keeping the system in a boiling-water bath;; pptn., filtering, washing and drying;; |
nickel(II) acetylacetonate
Conditions | Yield |
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With acetyl acetone In acetylacetone quantitative reaction already in the cold; | >99 |
nickel(II) acetylacetonate
Conditions | Yield |
---|---|
With acetyl acetone In acetylacetone quantitative reaction already in the cold; | >99 |
nickel(II) acetylacetonate
Conditions | Yield |
---|---|
With acetyl acetone In acetylacetone quantitative reaction already in the cold; | <99 |
nickel(II) acetylacetonate
Conditions | Yield |
---|---|
With acetyl acetone In acetylacetone quantitative reaction already in the cold; | >99 |
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The Nickel acetylacetonate, with the CAS registry number 3264-82-2, is also known as Bis(2,4-pentanediono)nickel. It belongs to the product categories of Catalysts for Organic Synthesis; Classes of Metal Compounds; Homogeneous Catalysts; Metal Complexes; Ni (Nickel) Compounds; Synthetic Organic Chemistry; Transition Metal Compounds; Metal beta-diketonate complexes. Its EINECS number is 221-875-7. This chemical's molecular formula is C10H14NiO4and molecular weight is 256.91. What's more, its systematic name is Bis(pentane-2,4-dionato-O,O')nickel. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance]. This chemical is stable at common pressure and temperature, and it should be sealed and stored in a ventilated and dry place. Moreover, it should be protected from light. It is used as catalyst in organic reactions.
Physical properties of Nickel acetylacetonate are: (1)ACD/LogP: 0.289; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.29; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 34.16; (8)ACD/KOC (pH 7.4): 31.16; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 71.9 °C; (14)Enthalpy of Vaporization: 49.32 kJ/mol; (15)Boiling Point: 187.6 °C at 760 mmHg; (16)Vapour Pressure: 0.174 mmHg at 25°C.
Preparation: this chemical can be prepared through the dehydration reaction and vacuum distillation of dihydrate nickel acetylacetonate or azeotropic distillation with toluene to get anhydrous nickel acetylacetonate.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. It has a limited evidence of a carcinogenic effect. It may cause sensitisation by skin contact and cause cancer by inhalation. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible). It should be avoided exposure, and you need to obtain special instructions before use.
You can still convert the following datas into molecular structure:
(1)SMILES: [Ni+2].O=C(/C=C(\[O-])C)C.[O-]\C(=C/C(=O)C)C
(2)Std. InChI: InChI=1S/2C5H8O2.Ni/c2*1-4(6)3-5(2)7;/h2*3,6H,1-2H3;/q;;+2/p-2/b2*4-3-;
(3)Std. InChIKey: BMGNSKKZFQMGDH-FDGPNNRMSA-L
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
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mouse | LD50 | intraperitoneal | 125mg/kg (125mg/kg) | "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 231, 1952. |