Hexazinone

Base Information

• Chemical Name: Hexazinone
• CAS No.: 51235-04-2
• Molecular Formula: C12H20N4O2
• Molecular Weight: 252.316
• Hs Code.: 29336990
• European Community (EC) Number: 257-074-4
• UNII: Y51727MR1Y
• DSSTox Substance ID: DTXSID4024145
• Nikkaji Number: J11.187B
• Wikipedia: Hexazinone
• Wikidata: Q408234
• Metabolomics Workbench ID: 155894
• ChEMBL ID: CHEMBL2252598
• Mol file: 51235-04-2.mol

Synonyms:3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione;hexazinone;hexazinone, (14)C-labeled;Velpar

Chemical Property of Hexazinone

Chemical Property:

• Appearance/Colour: white crystalline solid
• Vapor Pressure: 0.000142mmHg at 25°C
• Melting Point: 97-100.5oC
• Refractive Index: 1.612
• Boiling Point: 332.8 °C at 760 mmHg
• PKA: 2.05±0.70(Predicted)
• Flash Point: 155.1 °C
• PSA: 60.13000
• Density: 1.27 g/cm³
• LogP: 0.51320
• Storage Temp.: APPROX 4°C
• Water Solubility.: 33g/L(25 oC)
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 252.15862589
• Heavy Atom Count: 18
• Complexity: 386

Purity/Quality:

99% ^*data from raw suppliers

Hexazinone ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,N
• Hazard Codes: Xn,N,T,F
• Statements: 22-36-50/53-39/23/24/25-23/24/25-11
• Safety Statements: 60-61-45-36/37-16-7

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Pesticides -> Herbicides, Triazine
• Canonical SMILES: CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C
• Uses: Post bud contact killing herbicide and the inhibitor of photosynthesis in plants. Its weed killing spectrum and killing shrub spectrum are wide, and its toxicity is strong and effective. It is used for tending young forests of evergreen coniferous forests, such as Pinus koraiensis, Pinus sylvestris, Picea spruce, Pinus massoniana and so on. Before the afforestation, it is applied to weeding and extinguishing irrigation, maintaining and opening forest fire prevention and forest soil improvement etc...It can also be used for weeding and irrigation on both sides of the oil depot, airport and road. It can prevent green bristlegrass, filipendula palmate, angelica dahurica,sedge, herba elsholtziae, reed, deyeuxia angustifolia, fern, clematis, veronica spuria, cephalanoplos segetum, wild oats, quinoa, millet, etc.. The woody plants it can can control include yellow lonicera japonica, pearl, hazel wood, spiraea salicifolia, acanthopanax senticosus, acanthopanax, winged elm, aspen, birch, quercus mongolica, linden, oak, linden, ashtree, phellodendron amurense rupr, juglans mandshurica etc.. It can control annual weed and biennial weed. A dose of 2～5kg/hm2 control weeds for a short term. Most perennial weeds can be prevented by the dose of 6～12kg/hm2. Nonionic surfactants can be added to this product. Herbicide. Hexazinone is a triazine compound used as a preemergence or postemergence herbicide to control many annual grasses and broad-leaved weeds in noncropped land and certain crops such as alfalfa, blueberries, coffee, pecans and sugarcane

Technology Process of Hexazinone

There total 5 articles about Hexazinone 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: 95.7%

C10H19N3O4 + cyclohexylamine (108-91-8,157973-60-9) → 3-cyclohexyl-6-dimethylamino-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione (51235-04-2)

Guidance literature:

With triethylamine; at 60 - 65 ℃; for 2h;

Reference yield:

phosgene (75-44-5) + C11H22N4O → 3-cyclohexyl-6-dimethylamino-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione (51235-04-2)

Guidance literature:

With sodium hydroxide; In chloroform; at -20 - 60 ℃; for 4h; Reagent/catalyst; Solvent;

Reference yield:

3-cyclohexyl-1-methyl-6-methylsulfanyl-1H-[1,3,5]triazine-2,4-dione (51162-60-8) → 3-cyclohexyl-6-dimethylamino-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione (51235-04-2)

Guidance literature:

With dimethyl amine; In hexane; toluene;

upstream raw materials:

3-cyclohexyl-1-methyl-6-methylsulfanyl-1H-[1,3,5]triazine-2,4-dione

phosgene

Cyclohexyl isocyanate

cyclohexylamine

Refernces

• 1、 -. "[...] a process for the preparation of herbicide". Paragraph 0036; 0037; 0039. . Retrieved 2016/10/10.
• 2、 -. "Process for preparing herbicidal triazines". . . Retrieved 2008/06/13.