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Hexazinone

Hexazinone structure

CAS No:
51235-04-2
Formula:
C12H20N4O2
Chemical Name:
Hexazinone
Synonyms:
1,3,5-Triazine-2,4(1H,3H)-dione,3-cyclohexyl-6-(dimethylamino)-1-methyl-;3-Cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione;Velpar;DPX 3674;3-Cyclohexyl-6-(dimethylamino)-1-methyl-s-triazine-2,4(1H,3H)-dione;Hexazinone;Velpar L;Pronone;Pronone 10G;Hexaxinon
Categories:
Agrochemicals > Herbicides

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Description

HEXAZINONE is a white crystalline solid. Corrosive eye irritant. Used as an herbicide.

Hexazinone Basic Attributes

Molecular Weight：

252.31

Exact Mass：

252.31

EC Number：

257-074-4

HScode：

2933699014

Characteristics

PSA：

56.2

XLogP3：

1.85

Appearance：

Beige Powder

Density：

1.25 g/cm³

Melting Point：

115-117 °C

Boiling Point：

Decomposes

Flash Point：

11℃

Refractive Index：

1.612

Water Solubility：

At 25 deg C (g/kg): chloroform 3880, methanol 2650, benzene 940, dimethylformamide 836, acetone 792, toluene 386, hexane 3

Storage Conditions：

APPROX 4°C

Vapor Pressure：

2.25X10-7 mm Hg at 25 deg (extrapolated)

Toxicity：

Oral-Rat LD50: 1690 mg/kg

Flammability characteristics：

Combustion produces toxic nitrogen oxide gas

Safety Information

Transport codes：

UN30779/PG3

wgk germany：

hazard class code：

22-36-50/53-39/23/24/25-23/24/25-11

safety instructions：

60-61-45-36/37-16-7

RTECS Number：

XY7850000

Marks：

Xn,N,T,F

Storage features：

The warehouse is ventilated, low temperature and dry; stored and transported separately from food materials

Stability/Shelf Life：

Stable under recommended storage conditions.

Precautionary statement(s)：

P210-P260-P280-P301 + P310-P311

Hazard Statements：

H225-H301-H311-H331-H370

Toxicity

Toxicity class：

moderately toxic

Hexazinone Use and Manufacturing

Methods of Manufacturing

Preparation Method The synthesis of a methyl compound acts on lime nitrogen and water to form cyanamide. Ethyl chloroformate was added dropwise to maintain the reaction temperature around 40°C. When the pH was 6-7, it was the end point of the reaction. The solution was stirred at 40°C for 1 h and filtered to obtain ethyl N-cyano-N-methylcarbamate. Synthesis of guanidine The above methyl compounds (content 60%～80%), dimethylamine hydrochloride and water, react at 80～100℃ for 6h, cool, add lifestyle liquid alkali, extract with chloroform, waste water treatment process, After the extract is desolvated, N-ethoxycarbonyl-N, N', N'-trimethylguanidine hydrochloride is obtained, which is then reacted with alkali to generate guanidine. Synthesis of adducts In the presence of toluene, the cyclohexyl isocyanate toluene solution (content 10% to 20%) is added dropwise to the guanidine-toluene solution and reacted at 50 to 80°C for 2 hours to obtain N-(N' -Cyclohexylcarbamoyl-N, N-dimethylformamidyl)-N-methylcarbamate ethyl ester. Synthesis of cycloazinone Add 20% sodium methoxide to the above adduct for cyclization to obtain cycloazinone. The cyclic products need to be washed, layered, desolvated, crystallized, separated, dried and other post-treatments to obtain products with a content of ≥90%.

Uses

Herbicide.

Computed Properties

Molecular Weight:252.31
XLogP3:1.3
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:252.15862589
Monoisotopic Mass:252.15862589
Topological Polar Surface Area:56.2
Heavy Atom Count:18
Complexity:386
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Toluene

Cyclohexyl isocyanate

Ethanol

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