Diquat

Base Information

• Chemical Name: Diquat
• CAS No.: 2764-72-9
• Molecular Formula: C12H12N2
• Molecular Weight: 184.241
• Hs Code.: 2933990090
• European Community (EC) Number: 220-433-0
• UN Number: 2781
• UNII: A9A615U4MP
• DSSTox Substance ID: DTXSID6034554
• Nikkaji Number: J4.415F
• Wikipedia: Diquat
• Wikidata: Q2285491
• Metabolomics Workbench ID: 63198
• ChEMBL ID: CHEMBL1625720
• Mol file: 2764-72-9.mol

Synonyms:Dibromide, Diquat;Diquat;Diquat Dibromide

Chemical Property of Diquat

Chemical Property:

• Appearance/Colour: yellow crystalline solid
• PSA: 7.76000
• LogP: 0.94220
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 184.100048391
• Heavy Atom Count: 14
• Complexity: 183
• Transport DOT Label: Poison

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Bipyridyl
• Canonical SMILES: C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31

Technology Process of Diquat

There total 12 articles about Diquat 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:

6,7-dihydrodipyrido<1,2-a:1',2'-c>pyrazinium radical cation (2764-72-9) → 6,7-dihydrodipyrido[1,2-a;2',1'-c]pyrazinium (2764-72-9)

Guidance literature:

With dihydrogen peroxide; In water; at 23.5 ℃; Rate constant; Mechanism; Thermodynamic data; different: peroxides, solvents, pH's, temperatures; ΔH(excit.), ΔS(excit.); kinetics;

DOI:10.1021/jo00320a006

Reference yield:

[2,2]bipyridinyl (366-18-7) → 6,7-dihydrodipyrido[1,2-a;2',1'-c]pyrazinium (2764-72-9)

Guidance literature:

In acetonitrile;

DOI:10.1039/b605362a

Reference yield:

5,5'-dimethyl-2,2'-bipyridine (1762-34-1) + ethylene dibromide (106-93-4) → 6,7-dihydrodipyrido[1,2-a;2',1'-c]pyrazinium (2764-72-9)

Guidance literature:

at 125 ℃;

DOI:10.1039/c9cc01150a

upstream raw materials:

[2,2]bipyridinyl

5,5'-dimethyl-2,2'-bipyridine

ethylene dibromide

diquat dibromide

Refernces

• 1、 Atherton, Stephen J.,Tsukahara, K.,Wilkins, R. G.. "Reactions of Three Bis(viologen) Tetraquaternary Salts and Their Reduced Radicals". . p. 3380 - 3385. Retrieved 1986.
• 2、 Lewis. "Rate constants for electron transfer across semiconductor/liquid interfaces: Theory and experiment". . p. 161 - 172. Retrieved 2007/10/03.