ジチオりん酸O,O-ジエチルS-[(4-オキソ-1,2,3-ベンゾトリアジン-3(4H)-イル)メチル]
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![ジチオりん酸O,O-ジエチルS-[(4-オキソ-1,2,3-ベンゾトリアジン-3(4H)-イル)メチル] の分子構造式](/img/chemical/17531.png)
識別子と物理属性
| CAS No. | 2642-71-9 |
|---|---|
| 分子式 | C12H16N3O3PS2 |
| 平均分子量 | 345.4 g/mol |
| 単同位体質量 | 345.03707073 g/mol |
| SMILES | CCOP(=S)(OCC)SCn1nnc2ccccc2c1=O |
| InChIKey | RQVGAIADHNPSME-UHFFFAOYSA-N |
| PubChem CID | 17531 |
| ChEMBL | CHEMBL1886341 |
| ChEBI | CHEBI:38587 |
| EC No. | 220-147-6 |
| DTXSID | DTXSID5037498 |
| 現地名 | ジチオりん酸O,O-ジエチルS-[(4-オキソ-1,2,3-ベンゾトリアジン-3(4H)-イル)メチル] |
化学・物理的性質
| XLogP | 3.4 |
|---|---|
| 極性表面積 | 121 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 7 |
| 回転可能結合数 | 7 |
| 重原子数 | 21 |
| 形式電荷 | 0 |
| 複雑度 | 439 |
| SpringerMaterials Properties | Fusion temperature |
| 農薬 | Acaricides, InsecticidesActive substance -> EU Pesticides database: Not approvedPesticides -> Organophosphate InsecticidesPesticide (Azinphos ethyl) -> USDA PDB |
| LogP(分配係数) | log Kow = 3.40 |
| 密度 | 1.284 at 68 °F (EPA, 1998) - Denser than waterwill sink1.284 c/cu cm at 20 °C1.284 @ 20°C1.43 |
| Color/Form | Colorless needles |
| 溶解度 | SOL IN ORG SOLVENTS EXCEPT PETROLEUM ETHER AND ALIPHATIC HYDROCARBONSAt 20 °C: n-hexane, 2-5 g/Lisopropanol, 20-50 g/Ldichloromethane, >1,000 g/Ltoluene, >1,000 g/LSoluble in 2-propanol.In water, 10.5 mg/L at 20 °C4.5 mg l-1 (20 °C) |
| Corrosivity | Non-corrosive |
| 沸点 | 232 °F at 0.001 mmHg (EPA, 1998)BP: 111 °C at 0.001 mm Hg111°C |
| Decomposition | When heated to decomposition it emits very toxic fumes of /phosphorous oxides, sulfur oxides, and nitrogen oxides/. |
| 融点 | 127 °F (EPA, 1998)53 °C45-47℃ |
| 蒸気圧 | 2.2e-07 mmHg at 68 °F (EPA, 1998)0.0000024 [mmHg]0.32 mPa /2.4X10-6 mm Hg/ at 20 °C0.0000032 [mm Hg] @20 °C3.2 x 10-4 Pa (20 °C) |
| 屈折率 | Index of refraction: 1.5928 at 53 °C/DIndex of Refraction: 1.284 @ 20 °C |
| 貯蔵条件 | 0-6°C |
| pKa(酸解離定数) | -2.59±0.20(Predicted) |
| 外観・状態 | 個体 |
| BRN | 297468 |
| ヘンリー定数 | 1.0×102 mol/(m3Pa) at 25℃, HSDB (2015) |
| 主な用途 | 農業環境 |
| InChI | 1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3 |
| InChIKey | RQVGAIADHNPSME-UHFFFAOYSA-N |
| SMILES | CCOP(=S)(OCC)SCN1N=Nc2ccccc2C1=O |
| CAS データベース | 2642-71-9(CAS DataBase Reference) |
| EPAの化学物質情報 | Azinphos-ethyl (2642-71-9) |
化学的特性
Azinphos-ethyl forms colorless, clear crystals. It is insoluble in water, but soluble in most organic solvents. As an acaricide, azinphos-ethyl is used for the control of pests, such as, spider mites, aphids, caterpillars, potato bug, beetles, bollweevils, whitefl ies, bollworms, thrips, and other biting and sucking insects. Human exposures to azinphos-ethyl occur through absorption from the gastrointestinal tract, through the intact skin, and by inhalation of fi ne spray mist and dusts. Azinphos-ethyl is a non-systemic organophosphorus insecticide, which is used against a relatively broad spectrum of insects. These include lepidopterous larvae, beetles and their larvae, aphids, jassids, and spider mites on various crops. And also crops of cotton, rice, sugar and fodder beets, fruits such as apples, pears, citrus-fruit, grapes; tobacco. Many countries around the world have stopped the use of this pesticide.
安全性と法規制
| GHS 分類 | DangerH300: Fatal if swallowed [Danger Acute toxicity, oral]P262, P264, P270, P273, P280, P301+P316, P302+P352, P316, P321, P330, P361+P364, P391, P405, and P501 (click each P-code to see the statement)H300 (100%): Fatal if swallowed [Danger Acute toxicity, oral] |
|---|---|
| 規制情報 | 95/276/ECThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| その他の安全情報 | IMAP assessments - Phosphorodithioic acid, O,O-diethyl S-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl] ester: Environment tier I assessment |
| 輸送ラベル(DOT) | Poison |
| 火災危険 | (Non-Specific -- Organophosphorus Pesticide, n.o.s.) When heated to decomposition, it emits very toxic fumes of sulfur, phosphorus and nitrogen oxides. Container may explode in heat of fire. (EPA, 1998) |
| 健康有害性 | The systemic effects of this compound are similar to parathion. It is an extremely potent systemic toxicant via ingestion, inhalation and skin contact. It may cause death or permanent injury after very short exposure to small quantities. (EPA, 1998) |
| 有害性の概要 | Effects in high dose animal studies include depression of cholinesterase activity[HSDB] Extremely toxic cholinesterase inhibitor that may cause death as a result of minor exposure to small amounts[CAMEO] Toxic by ingestion, skin absorption, or inhalation[INCHEM PDS: Azinphos-ethyl - 1994] May cause irritationEffects in high dose animal studies include convulsions[MSDSonline] The average of two baseline respective cholinesterase activity determinations three days apart, with no exposures to enzyme inhibiting pesticides for at least 30 days, is recommended for each worker prior to exposure to cholinesterase inhibitors because of large inter-individual differences in published baseline values. To be established at least once a year. Removal from workplace exposures is recommended until the cholinesterase activity returns to within 20% of baseline. [TLVs and BEIs] |
| 反応性グループ | Amides and Imides |
| Special Reports | Toxicology Review: Residue Reviews 51: 123 (1974) |
用途
使用
Azinphos-ethyl is used to control both chewing and sucking pests on a wide range of crops.
一般的な説明
Colorless crystals. Used as a non-systemic insecticide with good ovicidal properties and long persistence. Used on cotton, citrus, vegetables, potatoes, tobacco, rice, and cereals to control caterpillars, beetles, aphids, spiders and many other insects. Not registered for use in the U.S.