3D Mol Similar

Hexazinone

Iupac Name：3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione

CAS No.: 51235-04-2

Molecular Weight：252.318

Modify Date.: 2022-11-10 19:24

Introduction: White crystalline solid. Corrosive eye irritant. Used as an herbicide. View more+

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1. Names and Identifiers

1.1 Name: Hexazinone
1.2 Synonyms: 1,3,5-Triazine-2,4(1H,3H)-dione, 3-cyclohexyl-6-(dimethylamino)-1-methyl- 1-methyl-3-cyclohexyl-6-dimethylamino-1,3,5-triazin-2,4-dione 3-CYCLOHEXYL-6-(DIMETHYLAMINO)-1-METHYL-1,3,5-TRIAZINE-2,4-(1H,3H)-DIONE 3-Cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione 3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione 3-cyclohexyl-6-dimethylamino-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione 3-CYCLOHEXYL-6-DIMETHYLAMINO-1-METHYL-1,3,5-TRIAZINE-2,4-DIONE 5-triazine-2,4(1h,3h)-dione,3-cyclohexyl-6-(dimethylamino)-1-methyl-3 Brush Killer brushkiller Caswell No. 271AA DPX 3674 DPX A 3674 dpx3674 EINECS 257-074-4 Gridball MFCD00055526 VELPAR Velpar L Velpar weed killer

1.3 CAS No.: 51235-04-2

1.4 CID: 39965

1.5 EINECS(EC#): 257-074-4

1.6 Molecular Formula: C12H20N4O2 (isomer)

1.7 Inchi: InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3

1.8 InChkey: CAWXEEYDBZRFPE-UHFFFAOYSA-N

1.9 Canonical Smiles: CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C

1.10 Isomers Smiles: CN1C(=NC(=O)N(C1=O)C2CCCCC2)N(C)C

2. Properties

2.1 Density: 1.27

2.1 Melting point: 97-100.5

2.1 Boiling point: 332.8°Cat760mmHg

2.1 Refractive index: 1.513 (25 C)

2.1 Flash Point: 155.1°C

2.1 Precise Quality: 252.15900

2.1 PSA: 60.13000

2.1 logP: 0.51320

2.1 Solubility: 33g/L(25 ºC)

2.2 AnalyticLaboratory Methods: Method: EPA-TSC/NERL 507; Procedure: gas chromatography with a nitrogen;-phosphorus; detector; Analyte: hexazinone;; Matrix: ground water; and finished drinking water;; Detection Limit: 0.15 ug/L.

2.3 Appearance: Tan, free flowing granules with a slight acrid odor.

2.4 Carcinogenicity: No carcinogenicity was detectedamong pups of rats fed up to 5000 ppm for 2 years.Similarly, no increase in tumors was produced by feeding upto 10,000 ppm hexazinone to mice.

2.5 Color/Form: White crystalline solid
Colorless crystals

2.6 Corrosivity: Noncorrosive

2.7 Decomposition: When heated to decomposition it emits toxic fumes of /nitrogen oxides/.

2.8 Odor: Odorless

2.9 Physical: HEXAZINONE; is a white crystalline solid. Corrosive eye irritant. Used as an herbicide.

2.10 pKa: 2.05±0.70(Predicted)

2.11 Water Solubility: 33 g/kg @ 25 C

2.12 Stability: Stable at normal temperatures and storage conditions.

2.13 StorageTemp: APPROX 4°C

2.14 Toxicity Summary: IDENTIFICATION AND USE: Hexazinone; is a white crystalline solid. It is used as an herbicide. HUMAN EXPOSURE AND TOXICITY: A 26-year-old woman inhaled hexazinone; dust. Vomiting occurred within 24 hours. ANIMAL STUDIES: In a 10-day study dermal application of hexazinone; for 6 hours/day for 10 days to male rabbits at 70 or 680 mg/kg/day resulted in no signs of skin irritation or toxicity. A trend toward elevated serum alkaline phosphatase (SAP) and serum glutamic pyruvic-transaminase (SGPT) activities was observed. Severe ocular irritant in rabbits. Rats fed 5000 ppm had growth curves slightly inferior to those of controls as the only detectable difference. Extending the feeding period to 2 yr produced decreased body weights in males fed 2500 ppm and in females fed either 1000 or 2500 ppm. All other indices of response, including the type and incidence of tumors, were similar in the test and control rats. Mice after 8 wk feeding up to 10,000 ppm produced increased liver weight only at the highest level without any other changes. 2 yr feeding of either 200, 2500, or 10,000 ppm resulted in sloughing of the distal tip of the tail and increased liver weights among mice fed 10,000 ppm. Hypertrophy of centrilobular hepatocytes and hyperplastic nodules were increased in mice fed either 2500 or 10,000 ppm. No evidence of a tumorigenic response was evident. Dogs fed 5000 ppm for 90 days had decreased rate of body weight gain with clinical signs of enzyme changes suggestive of liver damage. Microscopic examination of the liver failed to reveal any alterations and dogs fed 200 or 1000 ppm were indistinguishable from controls. No evidence of a teratogenic effect was seen in either rats or rabbits and reproduction capacity in rats fed up to 2500 ppm for three generations was unaffected. No carcinogenicity was detected among pups of rats fed up to 5000 ppm for 2 years. Similarly, no increase in tumors was produced by feeding up to 10,000 ppm hexazinone; to mice. Hexazinone; tested negative for mutagenicity in Salmonella typhimurium strains TA 1535, TA 1537, TA 1538, TA 98 and TA 100 at concentrations up to 7,000 ug/plate. ECOTOXICITY STUDIES: Two avian reproduction studies conducted show that the No Observed Effect Concentration (NOEC) for the bobwhite quail is <100 and for the mallard duck is >1000 ppm. Signal crayfish is more sensitive than the fish for hexazinone;, and can be used as a bio-indicator of environmental contamination. Hexazinone; was tested for its ability to control aquatic weeds when applied at 1.0 ppm in a 0.08 hectare pond. Dissolved oxygen; declined from 8.0 ppm to 0.2 ppm within 5 days after treatment and appeared to be the cause of fish mortality observed 4 days post treatment.

3. Use and Manufacturing

3.1 General Description: White crystalline solid. Corrosive eye irritant. Used as an herbicide.

3.2 GHS Classification: Signal: Warning
GHS Hazard Statements
H302: Harmful if swallowed [Warning Acute toxicity, oral]
H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]
H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
H410: Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statement Codes
P264, P270, P273, P280, P301+P312, P305+P351+P338, P330, P337+P313, P391, and P501

3.3 Methods of Manufacturing: Hexazinone; is produced by reaction of cyanoamine; with methyl chloroformate;, followed by methylation, and treatment with dimethylamine; and cyclohexyl isocyanate;.

3.4 Produe Method: Hexazinone is a postemergence contact herbicide effectiveagainst many annual and biennial weeds and, except forJohnson grass, most perennial weeds. Human contact islikely at the use stage, and dermal contact and inhalationare of most concern.

3.5 Usage: Control of many annual, biennial and perennial weeds and woody plants on noncropland areas. Selective weed control in conifers, sugarcane, pineapple, rubber trees and alfalfa.

4. Safety and Handling

4.1 Symbol: GHS02, GHS06, GHS08

4.1 Hazard Codes: Xn; N

4.1 Signal Word: Danger

4.1 Risk Statements: R22

4.1 Safety Statements: 60-61

4.1 Octanol/Water Partition Coefficient: log Kow = 1.2 at pH 7

4.2 Other Preventative Measures: Keep away from heat, sparks, and open flame. Store above 32 deg C in a dry place. Keep container closed. Remove and wash contaminated clothing before re-use. /Velpar L/
Do not apply directly to water or wetlands. Do not apply where runoff is likely to occur. Do not contaminate water by cleaning of equipment or disposal of wastes. /Velpar L/
Avoid breathing dust or spray mist.
Do not use on right-of-ways or other sites where marketable timber or other desirable plants are immediately adjacent to the treated area. Do not apply or drain or flush equipment on or near desirable trees or other plants, or on areas where their roots may extend, or in locations where the chemical may be washed or moved into contact with their roots.
Do not use on lawns, walks, driveways, tennis courts, or similar areas. Prevent drift of dry powder or spray to desirable plants. Do not contaminate any body of water. Do not reuse container.
/For applying the product/ wear the items of protective clothing the label requires: for example, non-absorbent gloves (not leather or fabric), rubber footwear (not canvas or leather), a hat, goggles, or a dust-mist filter. If no specific clothing is listed, gloves, long-sleeved shirts and long pants, and closed shoes are recommended. You can buy protective clothing and equipment at hardware stores or building supply stores.
Outdoor Applications. Never apply pesticides outdoors on a windy day (winds higher than 10 mph). Position yourself so that a light breeze does not blow pesticide spray or dust into your face.
SRP: Contaminated protective clothing should be segregated in such a manner so that there is no direct personal contact by personnel who handle, dispose, or clean the clothing. Quality assurance to ascertain the completeness of the cleaning procedures should be implemented before the decontaminated protective clothing is returned for reuse by the workers. Contaminated clothing should not be taken home at end of shift, but should remain at employee's place of work for cleaning.

4.3 Hazard Declaration: H225-H301-H311-H331-H370

4.3 Cleanup Methods: If a spill occurs, clean it up promptly. Don't wash it away. Instead, sprinkle the spill with sawdust, vermiculite, or kitty litter. Sweep it into a plastic garbage bag, and dispose of it as directed on the pesticide product label.
After Applying a Pesticide, Indoors or Outdoors. To remove pesticide residues, use a bucket to rinse tools or equipment three times, including any containers or utensils that you used when mixing the pesticide. Then pour the rinsewater into the pesticide sprayer and reuse the solution by applying it according to the pesticide product label directions. After applying any pesticide wash your hands and any other parts of your body that may have come in contact with the pesticide..To prevent tracking pesticides inside, remove or rinse your boots or shoes before entering your home. Wash any clothes that have been exposed to a lot of pesticide separately from your regular wash.

4.4 DisposalMethods: Safe Disposal of Pesticides. The best way to dispose of small amounts of excess pesticides is to use them - apply them - according to the directions on the label. If you cannot use them, ask your neighbors whether they have a similar pest control problem and can use them. If all of the remaining pesticide cannot be properly used, check with your local solid waste management authority, environmental agency, or health department to find out whether your community has a household hazardous waste collection program or a similar program for getting rid of unwanted, leftover pesticides. These authorities can also inform you of any local requirements for pesticide waste disposal.
Safe Disposal of Pesticides. An empty pesticide container can be as hazardous as a full one because of residues left inside. Never reuse such a container. When empty, a pesticide container should be rinsed carefully three times and the rinsewater thoroughly drained back onto the sprayer or the container previously used to mix the pesticide. Use the rinsewater as a pesticide, following label directions. Replace the cap or closure securely. Dispose of the container according to label instructions. Do not puncture or burn a pressurized container like an aerosol - it could explode. Do cut or puncture other empty pesticide containers made of metal or plastic to prevent someone from reusing them. Wrap the empty container and put it in the trash after you have rinsed it.
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.

4.5 RIDADR: UN3077 9/PG 3

4.5 Caution Statement: P210-P260-P280-P301 + P310-P311

4.5 Formulations/Preparations: Trade names: Velpar, Velpar K, Velpar L
Granule, water soluble powder, water soluble liquid, and undiluted liquid applied with exact delivery handgun.
Velpar, water soluble powder; Velpar Gridmall, granules, Velpar, water soluble liquid, Velpar K4, hexazinone + diuron.
Mixtures: Oustar (+sulfometuron-methyl); Hexaron (+diuron)
Formulation Types: Granular--10 to 75% Pelleted/tableted--10 to 90% Emulsifiable concentrate--25% Liquid ready to use--1.25% Soluble concentrate/solid--90%. Technical Grade Active Ingredient--98.7%.
DPX 3674

4.6 WGK Germany: 3

4.6 RTECS: XY7850000

4.6 Safety: Moderately toxic by ingestion and intraperitoneal routes. Mildly toxic by skin contact. Experimental reproductive effects. An eye irritant. When heated to decomposition it emits toxic fumes of NOx.

4.7 Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XY7850000

CHEMICAL NAME :: s-Triazine-2,4(1H,3H)-dione, 3-cyclohexyl-6-(dimethylamino)-1-methyl-

CAS REGISTRY NUMBER :: 51235-04-2

BEILSTEIN REFERENCE NO. :: 0618801

LAST UPDATED :: 199710

DATA ITEMS CITED :: 15

MOLECULAR FORMULA :: C12-H20-N4-O2

MOLECULAR WEIGHT :: 252.36

WISWESSER LINE NOTATION :: T6NVNVNJ A1 FN1&1 C- AL6TJ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: Standard Draize test

ROUTE OF EXPOSURE :: Administration into the eye

SPECIES OBSERVED :: Rodent - rabbit

REFERENCE :: FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 4,603,1984 ** ACUTE TOXICITY DATA **

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 1690 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85ARAE "Agricultural Chemicals," Thomson, W.T., 4 vols., Fresno, CA, Thomson Publications, 1976/77 revision Volume(issue)/page/year: 2,135,1977

TYPE OF TEST :: LC50 - Lethal concentration, 50 percent kill

ROUTE OF EXPOSURE :: Inhalation

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: >7480 mg/m3/1H

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85JFAN "Agrochemicals Handbook," with updates, Hartley, D., and H. Kidd, eds., Nottingham, Royal Soc. of Chemistry, 1983-86 Volume(issue)/page/year: A228,1984

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 5278 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: FMCHA2 Farm Chemicals Handbook. (Meister Pub., 37841 Euclid Ave., Willoughy, OH 44094) Volume(issue)/page/year: -,C163,1991

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - rat

DOSE/DURATION :: 530 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia

REFERENCE :: FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 4,603,1984

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Administration onto the skin

SPECIES OBSERVED :: Rodent - rabbit

DOSE/DURATION :: >5278 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PEMNDP Pesticide Manual. (The British Crop Protection Council, 20 Bridport Rd., Thornton Heath CR4 7QG, UK) V.1- 1968- Volume(issue)/page/year: 9,472,1991

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - guinea pig

DOSE/DURATION :: 860 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: PESTC* Pesticide & Toxic Chemical News. (Food Chemical News, Inc., 400 Wyatt Bldg., 777 14th St., NW, Washington, DC 20005) V.1- 1972- Volume(issue)/page/year: 9,21,1980

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Bird - quail

DOSE/DURATION :: 2258 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: 85JCAE "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986 Volume(issue)/page/year: -,881,1986

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Bird - quail

DOSE/DURATION :: 2258 mg/kg

TOXIC EFFECTS :: Behavioral - somnolence (general depressed activity) Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia

REFERENCE :: FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 4,603,1984 ** OTHER MULTIPLE DOSE TOXICITY DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 219 mg/kg/2Y-C

TOXIC EFFECTS :: Lungs, Thorax, or Respiration - changes in lung weight Kidney, Ureter, Bladder - changes in bladder weight Nutritional and Gross Metabolic - weight loss or decreased weight gain

REFERENCE :: FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 4,960,1984 ** REPRODUCTIVE DATA **

TYPE OF TEST :: TDLo - Lowest published toxic dose

ROUTE OF EXPOSURE :: Oral

DOSE :: 51700 mg/kg

SEX/DURATION :: male 94 day(s) pre-mating female 94 day(s) pre-mating

TOXIC EFFECTS :: Reproductive - Effects on Newborn - growth statistics (e.g.%, reduced weight gain)

REFERENCE :: FAATDF Fundamental and Applied Toxicology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1981- Volume(issue)/page/year: 4,960,1984 *** U.S. STANDARDS AND REGULATIONS *** EPA FIFRA 1988 PESTICIDE SUBJECT TO REGISTRATION OR RE-REGISTRATION FEREAC Federal Register. (U.S. Government Printing Office, Supt. of Documents, Washington, DC 20402) V.1- 1936- Volume(issue)/page/year: 54,7740,1989

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5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Acute toxicity - Oral, Category 4

Eye irritation, Category 2

Hazardous to the aquatic environment, short-term (Acute) - Category Acute 1

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 1

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word	Warning
Hazard statement(s)	H302 Harmful if swallowed H319 Causes serious eye irritation H410 Very toxic to aquatic life with long lasting effects
Precautionary statement(s)
Prevention	P264 Wash ... thoroughly after handling. P270 Do not eat, drink or smoke when using this product. P280 Wear protective gloves/protective clothing/eye protection/face protection. P273 Avoid release to the environment.
Response	P301+P312 IF SWALLOWED: Call a POISON CENTER/doctor/\u2026if you feel unwell. P330 Rinse mouth. P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. P337+P313 If eye irritation persists: Get medical advice/attention. P391 Collect spillage.
Storage	none
Disposal	P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

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6. NMR Spectrum

13C NMR : Predict

1H NMR : Predict

Predict 1H proton NMR

Mass spectrum (electron ionization)

7. Synthesis Route

51235-04-2Total: 1 Synthesis Route

51162-60-8

51235-04-2 115 Suppliers

Literatures:
E. I. Du Pont de Nemours and Company Patent: US3983116 A1, 1976 ;
Yield: null

8. Precursor and Product

precursor:

51162-60-8

9. Other Information

9.0 BRN: 618801

9.1 Chemical Properties: The pure product is white crystalline solid. m.p.115～117℃. Vapour pressure is 2.7×10-3Pa (25℃)、8.5×10-3Pa (86℃). Relative density is 1.25. The solubility at 25 ℃: 3880g/kg in chloroform, 2650g/kg in methanol, 836g/kg in dimethylformamide,790g/kg in acetone, 940g/kg in benzene, 386g/kg in toluene, 3g/kg in hexane and 33g/kg in water. In the water solution with pH value of 5~9, it is stable at normal temperature and will be decomposed by microbes in the soil.

9.2 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.

9.3 Mechanism of action: It mainly inhibits the photosynthesis of plants and causes the disordered generation of plants and causes death. Both plant root and leaf surface can absorb the cyclohexanone, which is transported mainly through the xylem. It has great mobility in the soil and can be decomposed by soil microbes after entering the soil. It has no harm to the root of the pine tree. 7 days after the weeds have been treated, the leaves will have necrosis until the whole leaf has withered. The whole process including the upper part above ground (about 2 weeks) and the rotting of the root lasts for 1 month. It will last for 1 month from the appearance of necrosison the new leaves to rotting roots of the shrubs lasts for about 2 months. The first defoliation of non - objective arbor takes place 20~30 days after the injury. In the future, the new born leaves will be molted again, repeating 3~5 times in a row. From the spot to the formation of shrub leaf rot lasted for about 2 months. The upper part of the ground dies in 60~120 days. The roots rot in the fall of second.

9.4 Toxicity: The drug is of toxicity when acute oral LD50 is 1690mg/kg in rats, acute percutaneous is LD50>5278mg/kg in rabbits, acute transdermal is LD50>2000mg/kg in rats. It has a stimulating effect on the eyes of rabbits. The accumulative coefficient K value is >5, which belongs to the mild accumulative pesticide.There is no teratogenic, carcinogenic and mutagenic effects on animals within the range of experiments. No abnormality is found in the three generation reproduction test and neurotoxicity test. The non-cation dose for two years of feeding test: 200mg/kg for rats,LC50388mg/L for rainbow trout, LD50>5000mg/kg for quail, LD50>10000mg/kg for wild duck and, LC5060μg for per bee.

9.5 Preparation method

9.6 Uses: Herbicide.

9.7 Uses: 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

9.8 Production Methods: Hexazinone is a postemergence contact herbicide effective against many annual and biennial weeds and, except for Johnson grass, most perennial weeds. Human contact is likely at the use stage, and dermal contact and inhalation are of most concern.

9.9 General Description: White crystalline solid. Corrosive eye irritant. Used as an herbicide.

9.10 Air & Water Reactions: Water soluble. Rapidly decomposed in solution by strong acids and bases.

9.11 Reactivity Profile: A triazine.

9.12 Carcinogenicity: No carcinogenicity was detected among pups of rats fed up to 5000 ppm for 2 years. Similarly, no increase in tumors was produced by feeding up to 10,000 ppm hexazinone to mice.

9.13 Environmental Fate: Soil/Plant. Biodegrades in soil and natural waters releasing carbon dioxide. The reported half-life in soil is 1 to 6 months (Hartley and Kidd, 1987). Rhodes (1980a) found that the persistence of hexazinone varied from 4 weeks in a Delaware sandy loam to 24 weeks in a Mississippi silt loam.
Hexazinone is subject to microbial degradation (Rhodes, 1980a; Feng, 1987). Metabolites identified in soils, alfalfa and/or sugarcane include 3-(4-hydroxycyclohexyl)-6(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione, 3-cyclohexyl-6-(methylamino)-1
Feng (1987) monitored the persistence and degradation of hexazinone in a silt loam soil 104 days after treatment of the herbicide. After 104 days, 66% of the hexazinone degraded via hydroxylation to form the major metabolite 3-(4-hydroxycyclohexyl)-6(dime
No traces of hexazinone or its metabolites were detected on treated blueberries (Jenson and Kimball, 1985).
Photolytic. Photodegradation products identified in aqueous hexazinone solutions following exposure to UV light (λ = 300–400 nm) were 3-(4-hydroxycyclohexyl)-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4(1H,3H)-dione, 3-cyclohexyl-6-(methylamino)

9.14 Metabolic pathway: In clay and sand soils, hexazinone is metabolized by hydroxylation at the 4-position of the cyclohexane ring and mono-N-demethylation to give [3-(4- hydroxycyclohexyl)-6-(dimethylamino)-1-methyl-1,3,5- triazine-2,4-(1H,3H )-dione], and [3-cyclohexyl-6- (methylamino)-1-methyl-1,3,5-triazine-2,4-(1H,3H )- dione, respectively. N-Demethylated metabolite is found in a comparatively higher percentage than the hydroxylated metabolite in both clay and sand soils.

10. Computational chemical data

Molecular Weight: 252.318g/mol
Molecular Formula: C₁₂H₂₀N₄O₂
Compound Is Canonicalized: True
XLogP3-AA: 1.3
Exact Mass: 252.15862589
Monoisotopic Mass: 252.15862589
Complexity: 386
Rotatable Bond Count: 2
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 2
Topological Polar Surface Area: 56.2
Heavy Atom Count: 18
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADceBzsAAAAAAAAAAAAAAAAAAAAAAAAAAwQAAAAAAAAAAAAAAAHgAAAAAACCjBAAQDAAMAAAAoAAAANAAAAAEAAAABAAAIAACAAAIAgAAEAAAIByIAAAEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

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Products:Additives for Gasoline and diesel, Pharmaceutical Products, Fire retardant products
Tel:86-574-89212210

Hexazione

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/01/14

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Wuhan Haizheng Industry & Trade Development Co. Ltd Audited Suppliers

Products:medical intermediateadditives of cosmetics(CAS NO.127-82-2)plasticizer(CAS NO.1732-10-1)additives using welting(CAS NO.635-51-8)food additives for nutrient supplements,antiseptic substance
Tel:86-27-88660577

Hexazinone

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2017/05/24

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Nanjing Sunsure Chemical Technology Co., Ltd Audited Suppliers

Tel:+86-025-58535435

Hexazinone 51235-04-2 supplier

Purity:99%Packing: 200kg/bag FOB
Price:
Time: 2019/02/25

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