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3264-82-2

Basic Information
CAS No.: 3264-82-2
Name: Nickel acetylacetonate
Molecular Structure:
Molecular Structure of 3264-82-2 (Nickel acetylacetonate)
Formula: C10H14NiO4
Molecular Weight: 256.91
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: ToxicT,IrritantXi,HarmfulXn
Risk Codes: 49-22-43-40
Safety: 53-36/37/39-45-36/37
Transport Information:
PSA: 52.60000
LogP: 1.92020
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Consensus Reports

NTP 10th Report on Carcinogens. Nickel and its compounds are on the Community Right-To-Know List. Reported in EPA TSCA Inventory.

Standards and Recommendations

NIOSH REL: (Nickel, Inorganic) TWA 0.015 mg(Ni)/m3

Specification

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
mouse LD50 intraperitoneal 125mg/kg (125mg/kg)   "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 4, Pg. 231, 1952.

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