81777-89-1
Isooxadiazon
CAS: 81777-89-1
Molecular Formula: C12H14ClNO2
81777-89-1 - Names and Identifiers
| Name | Isooxadiazon |
| Synonyms | Clomazon Comazone Clomazone Dimethazon dimethazone Isooxadiazon Dimethazone clomazone (bsi,ansi,draft e-iso,draft f-iso) 2-(2-Chlorobenzyl)-4,4-dimethyl-3-isoxazolidinone 2-(2-Chlorobenzyl)-4,4-dimethyl-1,2-oxazolidin-3-one 2-(2-chlorophenzyl)-4,4-dimethylisoxazolidin-3-one 2-((2-chlorophenyl)methyl)-4,4-dimethyl-3-isoxazolidinon 2-[(2-Chlorophenyl)methyl]-4,4-dimethyl-3-isoxazolidinone 3-Isoxazolidinone, 2-(2-chlorophenyl)methyl-4,4-dimethyl- |
| CAS | 81777-89-1 |
| InChI | InChI=1/C12H14ClNO2/c1-12(2)8-16-14(11(12)15)7-9-5-3-4-6-10(9)13/h3-6H,7-8H2,1-2H3 |
| InChIKey | KIEDNEWSYUYDSN-UHFFFAOYSA-N |
81777-89-1 - Physico-chemical Properties
| Molecular Formula | C12H14ClNO2 |
| Molar Mass | 239.7 |
| Density | 1.192 |
| Melting Point | 25°C |
| Boling Point | 275.4°C |
| Flash Point | 157°C |
| Water Solubility | 1.101g/L(temperature not stated) |
| Vapor Presure | 0.00038mmHg at 25°C |
| Appearance | neat |
| BRN | 7480026 |
| pKa | -1.48±0.40(Predicted) |
| Storage Condition | Sealed in dry,2-8°C |
| Refractive Index | 1.5388 (estimate) |
| Physical and Chemical Properties | Density 1.192 melting point 25°C boiling point 275.4°C |
| Use | It is mainly used to control broad-leaved weeds and gramineous weeds in soybean fields, and can also be used in cassava, corn, rape, sugarcane and tobacco fields. |
81777-89-1 - Risk and Safety
| Hazard Symbols | Xn - Harmful |
| Risk Codes | R20/22 - Harmful by inhalation and if swallowed. R36/38 - Irritating to eyes and skin. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36 - Wear suitable protective clothing. |
| UN IDs | 2902 |
| WGK Germany | 2 |
| RTECS | NY2977000 |
| Hazard Class | 6.1(b) |
| Packing Group | III |
| Toxicity | LD50 in male rats, female rats, mallard duck-bobwhite quail (mg/kg): 2077, 1369, >2510 orally; in rabbits (mg/kg): >2000 dermally (Chen) |
81777-89-1 - Upstream Downstream Industry
81777-89-1 - Reference Information
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| toxicity | Acute oral LD50 in rats was 1369-2077mg/kg; rabbit acute percutaneous LD50>2000mg/kg, rat acute inhalation LC50 4.8mg/L. The original drug had slight irritation to rabbit skin and no irritation to eyes. The non-effective dose for the 1-year feeding trial in dogs was 500mg/kg feed. No teratogenic, mutagenic and carcinogenic effects were found in animal experiments. The LC50 was 19mg/L for rainbow trout and 34mg/L for blue gill (96H). Safe for birds. |
| Use | a selective preemergence herbicide. It can be transmitted up to each part of the plant by Root and Bud absorption, thereby inhibiting the synthesis of isoprene compounds. Hinder the sensitive plant carotene, chlorophyll biosynthesis, so that this plant can germinate, but no pigment, in the short term death. It is suitable for weed control in soybean field, and it is applied to the surface of soil before germination or mixed with soil before sowing with 48% emulsifiable concentrate (20-25ml/100). It can also be used for sugarcane, peanut, potato, tobacco and other crop fields to control annual grass weeds and broadleaf grass. It is mainly used to control broad-leaved weeds and gramineous weeds in soybean fields, and can also be used in cassava, corn, rape, sugarcane and tobacco fields, it is mainly used for controlling broad-leaved weeds and Gramineae weeds in soybean field isobornia heterophyllum is a selective pre-Bud treatment agent, and the treatment period should be controlled by soil sealing treatment before seedling. This product is mainly used to control broad-leaved weeds and gramineous weeds in soybean fields, and can also be used in cassava, corn, rape, sugarcane and tobacco fields. |
| production method | preparation method -3-acetoxy-2, preparation of 2-dimethylpropionic acid with benzene as solvent, adding 3-hydroxy-2, 2-dimethylpropionaldehyde and acetic acid, dehydration esterification 7H, distilled out benzene and a small amount of acetic acid, further distillation under reduced pressure gave 3-acetoxy-2, 2-dimethylpropanal in a yield of 83%. The above product is dissolved in acetone, oxygen reaction 2H, distilled out of acetone, the crude product with acetone recrystallization of 3-acetoxy-2, 2-dimethylpropionic acid, m. P. 60~61 deg C (literature value 61 deg C), the yield of 75%. Preparation of 3-bromo-2, 2-dimethylpropionyl chloride the product of the previous step was added with an appropriate amount of hydrobromic acid, heated to reflux for 10h, extracted with petroleum ether, and distilled off petroleum ether to obtain 3-bromo-2, 2-dimethylpropionic acid. m. P. 48 °c, yield 80%. The reaction with thionyl chloride gave 3-bromo-2, 2-dimethylpropionyl chloride in 98% yield. Preparation of n-hydroxy-3-bromo-2, 2-dimethylpropionyl hydroxylamine hydroxylamine hydrochloride was dissolved in water, NaOH was added dropwise, 3-bromo-2 was added dropwise, 2-dimethylpropionyl chloride. The reaction was stirred for 16h, followed by post-treatment such as filtration, washing with water and drying to obtain n-hydroxy-3-bromo-2, 2-dimethylpropionyl hydroxylamine. m. P. 153~155 °c, yield 60%. Preparation of 4, 4-dimethyl-3-isoxazolone N-hydroxy-3-bromo-2, 2-dimethylpropionyl hydroxylamine was dissolved in methanol, sodium hydroxide methanol solution was added dropwise, stirred and filtered, diluted with water, extracted with dichloromethane, and the extractant was distilled off to obtain 4, 4-dimethyl-3-isoxazolone. The yield was 75%,m. P. 64-67 °c. Synthesis of isoxazinone equimolar 4, 4-dimethyl-3-isoxazolone was reacted with O-chlorobenzyl chloride, using dimethyl formamide as solvent and K2CO3 as acid binding agent, and stirred at room temperature for 18h, the solvent was distilled off under reduced pressure, extracted with dichloromethane, and the extractant was distilled off to obtain the oily product, isooxadiazinone, with a yield of 40%. Preparation Method 2 trimethyl acetic acid as the starting material, by chlorination, chlorination, oximation, reduction, condensation, cyclization synthesis of six steps. |
| category | pesticide |
| toxicity grade | poisoning |
| Acute toxicity | oral-rat LD50: 1369 mg/kg |
| flammability hazard characteristics | toxic nitrogen oxides and chloride gases from combustion |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored and transported separately from food raw materials |
| extinguishing agent | dry powder, foam, sand |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:54:55
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Product Name: Carfentrazone-ethyl Impurity 4 (Clomazone) Visit Supplier Webpage Request for quotationCAS: 81777-89-1
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Email: 2853786052@qq.com
Mobile: 86+15671228036
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Multiple Specifications
Product Name: Clomazone Visit Supplier Webpage Request for quotationCAS: 81777-89-1
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Mobile: 18021002903
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Raw Materials for 81777-89-1