Nickel benzoate

Base Information

• Chemical Name: Nickel benzoate
• CAS No.: 553-71-9
• Molecular Formula: C7H6 O2 . 1/2 Ni
• Molecular Weight: 300.921
• Hs Code.: 2916310090
• European Community (EC) Number: 209-046-8
• NSC Number: 176114,62432
• DSSTox Substance ID: DTXSID30970621
• Mol file: 553-71-9.mol

Synonyms:Nickel benzoate;benzoic acid;nickel;553-71-9;Nickel benzoate, Ni(OBz)2;NSC-62432;NSC-176114;SCHEMBL476856;Benzoic acid--nickel (1/1);DTXSID30970621;NSC62432;NSC176114

Chemical Property of Nickel benzoate

Chemical Property:

• Vapor Pressure: 0.0122mmHg at 25°C
• Boiling Point: 249.3°Cat760mmHg
• Flash Point: 111.4°C
• PSA: 37.30000
• Density: 1.197g/cm³
• LogP: 1.38480
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 179.972121
• Heavy Atom Count: 10
• Complexity: 104

Purity/Quality:

99% ^*data from raw suppliers

NIckelbenzoate 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)O.[Ni]
• Uses: Benzoic Acid is used in the synthesis of 1,3,4-oxadiazoles with pharmaceutical activity. Also used in the synthesis of selective human A3 adenosine receptor antagonists.

Technology Process of Nickel benzoate

There total 9 articles about Nickel benzoate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 23.0%

bis(1,5-cyclooctadiene)nickel (0) (1295-35-8) + tricyclohexylphosphine (2622-14-2) + dibenzoyl peroxide (94-36-0) → Ni(OCOC6H5)2(P(C6H11)3)2 (128097-17-6) + nickel(II) benzoate (553-71-9)

Guidance literature:

In diethyl ether; addn. a suspn. of benzoyl peroxide in ether to a suspn. of Ni(COD)2 and PCy3 (ratio 1:2) in ether at-78°C, stirring for 2 h at 22°C, (Ar); filtn. of ppt. (Ni(OCOPH)2(PCy3)2), washing (ether), drying in vacuum, evapn. of mother soln., treatment of residue with MeOH, filtn. of ppt. (Ni(OCOPh)2, washing (MeOH), drying in vacuo;

DOI:10.1016/S0020-1693(00)84659-9

Reference yield:

nickel (II) monothiobenzoate (7459-68-9) → Ni dithiobenzoate + nickel(II) benzoate (553-71-9)

Guidance literature:

In not given; heating, exclusion of air;

Reference yield:

nickel (7440-02-0) + dibenzoyl peroxide (94-36-0) → nickel(II) benzoate (553-71-9)

Guidance literature:

In ethanol; byproducts: benzoic acid, CH3CHO; Raney nickel;

upstream raw materials:

nickel

dibenzoyl peroxide

{Ni(C₁₃H₁₀NO₂)2}

nickel (II) monothiobenzoate

Refernces

• 1、 Meyer, Raymond A.,Hazel, J.Frederic,McNabb, Wallace M.. "Thermal analysis of some metal n-benzoyl-n-phenylhydroxylamine chelates". . p. 419 - 425. Retrieved 2008/10/08.