simazine
simazine
CAS: 122-34-9
Molecular Formula: C7H12ClN5
simazine - Names and Identifiers
| Name | simazine |
| Synonyms | Bitemol Boroflow simazine bitemols50 batazineflo Bitemol S-50 cat(herbicide) CAT (herbicide) 2-Chloro-4,6-bis(ethylamino)-1,3,5-triazine 6-chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine |
| CAS | 122-34-9 |
| EINECS | 204-535-2 |
| InChI | InChI=1/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13) |
simazine - Physico-chemical Properties
| Molecular Formula | C7H12ClN5 |
| Molar Mass | 201.66 |
| Density | 1.302 |
| Melting Point | 225°C |
| Boling Point | 329.54°C (rough estimate) |
| Flash Point | 100°C |
| Water Solubility | 0.0005 g/100 mL |
| Solubility | Insoluble in water, the solubility in methanol is 400ppm, slightly soluble in dioxane and ethylene glycol ether |
| Vapor Presure | 0Pa at 25℃ |
| Appearance | White powder |
| Color | White |
| Exposure Limit | ACGIH: TWA 0.5 mg/m3; TWA 2 mg/m3 |
| Merck | 14,8533 |
| BRN | 10895 |
| pKa | 2.71±0.10(Predicted) |
| Storage Condition | Sealed in dry,2-8°C |
| Refractive Index | 1.6110 (estimate) |
| MDL | MFCD00023174 |
| Physical and Chemical Properties | Pure white crystals. m.p.226 -227 °c, vapor pressure 8.13 x 10-7PA (20 °c). Methanol solubility of 400mg/L, water solubility of 5mg/L, petroleum ether solubility of 2mg/L, slightly soluble in chloroform. Chemical stability, but in a strong acid-base conditions and high temperature easy hydrolysis, the formation of inactive hydroxyl derivatives. Non-corrosive. m. P. 224 °c. |
| Use | It is a selective internal-absorption-conductivity type soil-treatment herbicide, which is used to control annual Broad-leaved weeds and Gramineae weeds |
simazine - Risk and Safety
| Risk Codes | R40 - Limited evidence of a carcinogenic effect R50/53 - Very toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R39/23/24/25 - R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R11 - Highly Flammable R36 - Irritating to the eyes R22 - Harmful if swallowed |
| Safety Description | S36/37 - Wear suitable protective clothing and gloves. S46 - If swallowed, seek medical advice immediately and show this container or label. S60 - This material and its container must be disposed of as hazardous waste. S61 - Avoid release to the environment. Refer to special instructions / safety data sheets. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S16 - Keep away from sources of ignition. S7 - Keep container tightly closed. |
| UN IDs | 3077 |
| WGK Germany | 3 |
| RTECS | XY5250000 |
| TSCA | Yes |
| HS Code | 29336990 |
| Hazard Class | 9 |
| Packing Group | III |
| Toxicity | LD50 orally in rats: 5000 mg/kg (Bailey, White) |
simazine - Upstream Downstream Industry
| Raw Materials | Cyanuric chloride |
simazine - Reference Information
| LogP | 2.18 at 20℃ |
| dissociation constant | 1.49-1.75 at 20 ℃ |
| (IARC) carcinogen classification | 3 (Vol. 53, 73) 1999 |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| toxicity | acute oral LD50>5000 mg/kg in rats; 80% preparation for acute percutaneous LD50>10000 mg/kg in rabbits. |
| use | triazine herbicides. It is easy to be adsorbed by the soil on the surface layer, forming a toxic soil layer, and the root system of shallow-rooted weed seedlings is killed when absorbed into the medicine. The effect is poor on perennial or deep-rooted weeds with deep roots. Used for corn, sugarcane, sorghum, tea trees, rubber, orchards, and nurseries to prevent annual or perennial broad-leaved weeds and most monocotyledonous weeds propagated by seeds; for perennial weeds propagated by rhizomes or root buds It has obvious inhibitory effect; appropriately increasing the dose is also used as forest fire prevention passages, railway roadbeds, courtyards, warehouse storage areas, oil tank areas, wood storage yards, etc. as killing herbicides. Recommended dosage: corn 30~60g/100 m2 (summer corn 15~30g/100 m2 ); Sorghum 30~66g/100 m2; Sugarcane 22.5~30g/100 m2; Tea 22.5~37.5g/100 m2; Rubber 45~67.6g/100 m2; Orchard 45~75g/100 m2; Nursery 1~2g per square meter. The water is prepared into a suspension and sprayed on the soil table. It is a selective absorption and conduction type soil treatment herbicide, which is used to control annual broad-leaved weeds and gramineous weeds It is used in corn fields or orchards before buds to control broad-leaved and narrow-leaved weeds This product is a high-efficiency selective herbicide, which is mostly used to control annual and perennial broad-leaved weeds and most monocotyleous weeds propagated by seeds such as corn, sorghum, sugarcane, tea gardens, orchards, etc, it can also be used for railway, highway, oil field extinction weeding. Simazin is a highly efficient and selective herbicide, which is mostly used to control annual and perennial broad-leaved weeds and most monocotyledonous weeds propagated by seeds, such as corn, sorghum, sugarcane, tea gardens, orchards, etc. It can also be used for killing weeds in railways, highways and oil fields. |
| Production method | It is obtained by the reaction of triazine chlorocyanide and ethylamine in the presence of an acid receptor. If water is used as the reaction medium, the material is added at about 0 ℃, and then kept at 70 ℃ for 2 hours. If the reaction is carried out in a solvent such as trichloroethylene, the reaction temperature is 30-50°C. Raw material consumption quota: cyanuric chloride (96%)1020 kg/t, monoethylamine (converted 100%)520 kg/t, liquid alkali (40%)100 kg/t, trichloroethylene (industrial products) 120 kg/t. It is prepared by mixing cyanuric chloride and ethylamine at about 0 ℃ in the presence of acid binding agent with water as the reaction medium, and then reacting at 70 ℃ for 2h. |
| category | pesticide |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 971 mg/kg; Oral-mouse LD50: 5000 mg/kg |
| stimulation data | skin-rabbit 500 mg mild |
| flammability hazard characteristics | combustion produces toxic nitrogen oxides and chloride gas; poisoning reaction: emaciation, decreased red blood cell count |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand |
| occupational standard | TWA 5 mg/m3 |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 20:02:46
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Raw Materials for simazine