Sodium Omadine

Base Information

• Chemical Name: Sodium Omadine
• CAS No.: 3811-73-2
• Deprecated CAS: 5412-36-2,75164-71-5,878632-79-2,75164-71-5
• Molecular Formula: C5H4NNaOS
• Molecular Weight: 149.149
• Hs Code.: 29333990
• European Community (EC) Number: 223-296-5,240-062-8
• UNII: 6L3991491R
• DSSTox Substance ID: DTXSID3042390
• Nikkaji Number: J217.695E
• Wikidata: Q27265081
• NCI Thesaurus Code: C66498
• ChEMBL ID: CHEMBL2364542
• Mol file: 3811-73-2.mol

Synonyms:1-hydroxypyridine-2-thione;2-HPT cpd;2-mercaptopyridine-N-oxide;2-pyridinethiol 1-oxide;67Ga-MPO;68Ga-mercaptopyridine-N-oxide;indium 111-2-mercaptopyridine-1-oxide;N-hydroxypyridine-2-thione;Omadine;pyridine-2-thiol N-oxide;pyrithione;pyrithione barium (2:1) salt;pyrithione calcium (2:1) salt;pyrithione magnesium salt;pyrithione potassium salt;pyrithione sodium salt;sodium pyridinethione

Chemical Property of Sodium Omadine

Chemical Property:

• Appearance/Colour: clear solution
• Vapor Pressure: 0-0Pa at 25℃
• Melting Point: -25 °C
• Refractive Index: 1.4825
• Boiling Point: 253.8 °C at 760 mmHg
• Flash Point: 107.3 °C
• PSA: 25.46000
• Density: 1.22 g/cm³
• LogP: 1.02090
• Storage Temp.: Hygroscopic, -20°C Freezer, Under inert atmosphere
• Sensitive.: Hygroscopic
• Solubility.: H2O: 0.1 M at 20 °C, clear, faintly yellow
• Water Solubility.: 54.7 g/100 mL
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.99112921
• Heavy Atom Count: 9
• Complexity: 162

Purity/Quality:

≥?98～102% ^*data from raw suppliers

2-Mercaptopyridine-n-oxide sodium salt ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi
• Statements: 22-36/37/38-36/38
• Safety Statements: 26-36-24/25-37/39

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Uses -> Biocides/Disinfectants
• Canonical SMILES: C1=CC(=S)N(C=C1)[O-].[Na+]
• Description: Sodium pyrithione is mainly used for anti-mildew and antibacterial products in the fields of daily chemicals (shampoo and hair care products), architectural coatings, adhesives, sealants, pesticides, textiles, leather products, metal working fluids, etc. It can also be formulated for disinfection agents, detergents and medical broad-spectrum antifungal dermatological products. At the same time, it is also an effective fungicide and an excellent common disinfectant for fruit trees, peanuts, wheat, vegetables and other crops. Its derivative product, zinc pyrithione, is also a commonly used fungicide for daily chemicals.
• Uses: sodium pyrithione is a preservative that is not commonly used because of some level of toxicity. It is prohibited in Canada, and it is on the eu Annex II list of substances that must not form part of a cosmetic product composition. Sodium omadine is a bactericide for use in cooling fluids and short-term in-can preservation of vinyl acetate latex, paints, and synthetic-fiber lubricants; preservative for cosmetic rinse-off products.

Technology Process of Sodium Omadine

There total 4 articles about Sodium Omadine 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:

2-chloropyridine-N-oxide (2402-95-1) → 2-mercaptopyridine-1-oxide sodium salt (3811-73-2)

Guidance literature:

With sodium hydrogen sulfide; sodium hydroxide; In water; at 60 - 65 ℃; for 2.5h; Large scale;

Reference yield:

pyridine N-oxide (694-59-7) → 2-mercaptopyridine-1-oxide sodium salt (3811-73-2)

Guidance literature:

pyridine N-oxide; With sodium sulfide; 1,3-diisopropylbenzene; sulfur; calcium hydroxide; In water; at 200 ℃; for 3.5h; Inert atmosphere;

With sodium hydroxide; In water; pH=8; Temperature; Time; Reagent/catalyst;

Reference yield:

2-chloropyridine (109-09-1) → 2-mercaptopyridine-1-oxide sodium salt (3811-73-2)

Guidance literature:

Multi-step reaction with 2 steps

1: dihydrogen peroxide / water / 1 h / 65 - 80 °C

2: sodium hydrogen sulfide; sodium hydroxide / water / 2.5 h / 60 - 65 °C / Large scale

With sodium hydrogen sulfide; dihydrogen peroxide; sodium hydroxide; In water;

upstream raw materials:

pyridine N-oxide

2-chloropyridine

2-chloropyridine-N-oxide

Downstream raw materials:

cholest-5-ene

cholesteryl formate

2-pyridyl 1,1-diethylpropyl disulphide

isoeicosane

Refernces

• 1、 -. "Novel synthetic method of sodium pyrithione". Paragraph 0038; 0040-0041; 0043-0044; 0046-0047; 0049-0050;. . Retrieved 2019/05/08.
• 2、 -. "Synthesis method of zinc pyrithione". . . Retrieved 2017/06/02.