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2223-95-2

Basic Information
CAS No.: 2223-95-2
Name: NICKEL STEARATE
Article Data: 6
Molecular Structure:
Molecular Structure of 2223-95-2 (NICKEL STEARATE)
Formula: C36H70NiO4
Molecular Weight: 625.639
Synonyms: Nickel distearate;
EINECS: 218-744-1
Density: 1,13 g/cm3
Melting Point: 82-86 °C(lit.)
Boiling Point: 359.4 °C at 760 mmHg
Flash Point: 162.4 °C
Solubility: Insoluble in water.
Hazard Symbols: HarmfulXn, DangerousN
Risk Codes: 22-40-43-50/53-36/37/38
Safety: 22-36/37/39-61-60-36/37
Transport Information: UN 3077
PSA: 52.60000
LogP: 12.51080
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Specification

The Octadecanoic acid,nickel(2+) salt (2:1), with the CAS registry number of 2223-95-2, is also known as Nickel distearate. It belongs to the product categories of Organic-metal salt; Catalysis and Inorganic Chemistry; Chemical Synthesis. Its EINECS registry number is 218-744-1. This chemical's molecular formula is C36H70NiO4 and molecular weight is 625.63. What's more, its systematic name is Nickel(2+) dioctadecanoate. In addition, it must be stored in airtight containers and placed in a dry, cool place.

Physical properties about the Octadecanoic acid,nickel(2+) salt (2:1) are: (1)ACD/LogP: 8.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.42; (4)ACD/LogD (pH 7.4): 5.63; (5)ACD/BCF (pH 5.5): 165268.91; (6)ACD/BCF (pH 7.4): 2651.33; (7)ACD/KOC (pH 5.5): 112327.87; (8)ACD/KOC (pH 7.4): 1802.02; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 37.3 Å2; (13)Flash Point: 162.4 °C; (14)Enthalpy of Vaporization: 63.84 kJ/mol; (15)Boiling Point: 359.4 °C at 760 mmHg; (16)Vapour Pressure: 8.58E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. It is very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. The dust of this chemical can not be breathed. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection. Besides, this chemical is harmful if swallowed.

You can still convert the following datas into molecular structure:
(1) SMILES: [Ni+2].[O-]C(=O)CCCCCCCCCCCCCCCCC.[O-]C(=O)CCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/2C18H36O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
(3) InChIKey: JMWUYEFBFUCSAK-NUQVWONBAX