1-Methylpyridinium-2-aldoxime Chloride

Base Information

• Chemical Name: 1-Methylpyridinium-2-aldoxime Chloride
• CAS No.: 51-15-0
• Molecular Formula: C₇H₉N₂O*Cl
• Molecular Weight: 172.614
• Hs Code.: 29333999
• European Community (EC) Number: 200-080-9
• Wikidata: Q27108058
• Metabolomics Workbench ID: 143617
• Mol file: 51-15-0.mol

Synonyms:51-15-0;1-Methylpyridinium-2-aldoxime Chloride;[(E)-(1-methylpyridin-2-ylidene)methyl]-oxoazanium;chloride;Pyridinium, 2-formyl-1-methyl-, oxime (8CI);HMS2093L03;HMS2232F12;HMS3369N18;AKOS016339594;CCG-213450;KS-5324;2-formyl 1-methyl pyridinium oxime chloride;FT-0631221;M0819;SR-01000721910;SR-01000721910-3;Q27108058

Chemical Property of 1-Methylpyridinium-2-aldoxime Chloride

Chemical Property:

• Appearance/Colour: white to off-white adhering crystalline powder
• Melting Point: 230 °C(lit.)
• Refractive Index: 1.5430 (estimate)
• Boiling Point: 189.7oC at760mmHg
• PKA: pKa 7.8-8 (Uncertain)
• Flash Point: 68.5oC
• PSA: 36.47000
• Density: 1.3265 (rough estimate)
• LogP: -2.67680
• Storage Temp.: 0-6°C
• Solubility.: Methanol (Slightly), Water (Sparingly)
• Water Solubility.: 65.5 g/100 mL (25 ºC)
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 172.0403406
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

98%MIN ^*data from raw suppliers

Pralidoxime Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-36/37/38-20/22
• Safety Statements: 36-37/39-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C[N+]1=CC=CC=C1C=NO.[Cl-]
• Uses: This compound binds to inactivated acetylcholinesterases and is used to combat poisoning from organophosphates and nerve agents vitamin B6, enzyme cofactor
• Therapeutic Function: Antidote (nerve gas)
• Clinical Use: Pralidoxime chloride is used as an antidote for poisoningby parathion and related pesticides. It may be effectiveagainst some phosphates that have a quaternary nitrogen. Itis also an effective antagonist for some carbamates, such asneostigmine methylsulfate and pyridostigmine bromide.

Technology Process of 1-Methylpyridinium-2-aldoxime Chloride

There total 5 articles about 1-Methylpyridinium-2-aldoxime Chloride 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: 92.0%

Contrathion (154-97-2,29603-50-7,105404-71-5) → 2-hydroxyiminomethyl-1-methylpyridinium chloride (51-15-0,13698-37-8,14018-50-9)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol; at 0 - 5 ℃; for 2.5h;

Reference yield: 90.0%

1-Methyl-2-pyridinium-p-toluolsulfat (70275-57-9) → 2-hydroxyiminomethyl-1-methylpyridinium chloride (51-15-0,13698-37-8,14018-50-9)

Guidance literature:

With hydrogenchloride; In isopropyl alcohol; at 0 - 5 ℃; for 2.5h;

Reference yield:

→ 2-hydroxyiminomethyl-1-methylpyridinium chloride (51-15-0,13698-37-8,14018-50-9)

Guidance literature:

With water;

DOI:10.1021/ja01559a067

upstream raw materials:

2-pyridinealdoxime

Contrathion

1-Methyl-2-pyridinium-p-toluolsulfat

Refernces