Cyperquat chloride

Base Information

• Chemical Name: Cyperquat chloride
• CAS No.: 39794-99-5
• Deprecated CAS: 37339-97-2
• Molecular Formula: C₁₂H₁₂N*Cl
• Molecular Weight: 205.687
• UNII: MRP3DNB9K9
• DSSTox Substance ID: DTXSID8041826
• Wikidata: Q27284197
• ChEMBL ID: CHEMBL577901
• Mol file: 39794-99-5.mol

Synonyms:1 Methyl 4 phenylpyridine;1 Methyl 4 phenylpyridinium;1 Methyl 4 phenylpyridinium Chloride;1 Methyl 4 phenylpyridinium Ion;1-Methyl-4-phenylpyridine;1-Methyl-4-phenylpyridinium;1-Methyl-4-phenylpyridinium Chloride;1-Methyl-4-phenylpyridinium Ion;Cyperquat;N Methyl 4 phenylpyridine;N-Methyl-4-phenylpyridine;N-Methyl-4-phenylpyridinium

Chemical Property of Cyperquat chloride

Chemical Property:

• PSA: 3.88000
• LogP: -0.81790
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 205.0658271
• Heavy Atom Count: 14
• Complexity: 141

Purity/Quality:

99% ^*data from raw suppliers

CYPERQUAT 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[N+]1=CC=C(C=C1)C2=CC=CC=C2.[Cl-]

Technology Process of Cyperquat chloride

There total 2 articles about Cyperquat 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:

p-phenylpyridine (939-23-1) + methyl iodide (74-88-4) → 1-methyl-4-phenyl-pyridinium; chloride (39794-99-5,37339-97-2)

Guidance literature:

p-phenylpyridine; methyl iodide; In ethanol; for 24h; Reflux;

With ammonium hexafluorophosphate; In water; acetonitrile;

With tetrabutyl-ammonium chloride; In acetonitrile;

DOI:10.1039/c9sc02633a

Reference yield:

→ 1-methyl-4-phenyl-pyridinium; chloride (39794-99-5,37339-97-2)

Guidance literature:

upstream raw materials:

p-phenylpyridine

methyl iodide