化工社化工社 化学情報印刷レポート · 研究参考用
3-[N-[N-[(2,2-ジメチル-2,3-ジヒドロベンゾフラン-7-イル)オキシカルボニル]-N-メチルアミノチオ]-N-イソプロピルアミノ]プロピオン酸エチル
2,2-ジメチル-2,3-ジヒドロベンゾフラン-7-イル=N-[イソプロピル(2-エトキシカルボニルエチル)アミノチオ]-N-メチルカルバマート · オンコル · オンコール5G · ベンフラカルブ · 3-[N-[N-[(2,2-ジメチル-2,3-ジヒドロベンゾフラン-7-イル)オキシカルボニル]-N-メチルアミノチオ]-N-イソプロピルアミノ]プロピオン酸エチル · オンコール · アミノフラカルブ · 2,2-ジメチル-2,3-ジヒドロ-1-ベンゾフラン-7-イル=N-[N-(2-エトキシカルボニルエチル)-N-イソプロピルスルフェナモイル]-N-メチルカルバマート
![3-[N-[N-[(2,2-ジメチル-2,3-ジヒドロベンゾフラン-7-イル)オキシカルボニル]-N-メチルアミノチオ]-N-イソプロピルアミノ]プロピオン酸エチル の分子構造式](/img/chemical/54886.png)
識別子と物理属性
| CAS No. | 82560-54-1 |
|---|---|
| 分子式 | C20H30N2O5S |
| 平均分子量 | 410.5 g/mol |
| 単同位体質量 | 410.18754306 g/mol |
| SMILES | CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2)C(C)C |
| InChIKey | FYZBOYWSHKHDMT-UHFFFAOYSA-N |
| PubChem CID | 54886 |
| ChEMBL | CHEMBL2252178 |
| ChEBI | CHEBI:3014 |
| EC No. | 617-356-3 |
| DTXSID | DTXSID2041622 |
| 現地名 | 3-[N-[N-[(2,2-ジメチル-2,3-ジヒドロベンゾフラン-7-イル)オキシカルボニル]-N-メチルアミノチオ]-N-イソプロピルアミノ]プロピオン酸エチル |
化学・物理的性質
| XLogP | 4.2 |
|---|---|
| 極性表面積 | 93.6 |
| 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 | 10 |
| 重原子数 | 28 |
| 形式電荷 | 0 |
| 複雑度 | 543 |
| 農薬 | Insecticides, NematicidesActive substance -> EU Pesticides database: Not approved |
| LogP（分配係数） | 4.3 |
| Collision Cross Section | 197.3 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: APCI+Dataset: TOXCASTSource Identifier: DTXSID2041622] |
| 融点 | <25℃ |
| 沸点 | 110℃ (0.023mmHg) |
| 密度 | 1.172 |
| 蒸気圧 | 2.7 x 10-5 Pa (20 °C) |
| 屈折率 | 1.6510 (estimate) |
| 引火点 | 100 °C |
| 貯蔵条件 | 0-6°C |
| 溶解度 | Chloroform (Slightly), DMSO, Ethyl Acetate (Slightly), Methanol (Slightly)8 mg l-1 (20 °C) |
| pKa（酸解離定数） | 2.05±0.70(Predicted) |
| 比重 | 1.142 (20℃) |
| Merck | 13,1039 |
| ヘンリー定数 | 4.9×102 mol/(m3Pa) at 25℃, Ebert et al. (2023) |
| InChI | 1S/C20H30N2O5S/c1-7-25-17(23)11-12-22(14(2)3)28-21(6)19(24)26-16-10-8-9-15-13-20(4,5)27-18(15)16/h8-10,14H,7,11-13H2,1-6H3 |
| InChIKey | FYZBOYWSHKHDMT-UHFFFAOYSA-N |
| SMILES | CCOC(=O)CCN(SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12)C(C)C |
| LogP（分配係数） | 4.300 |
| EPAの化学物質情報 | Benfuracarb (82560-54-1) |
化学的特性
Benfuracarb is a thick liquid.
安全性と法規制
| GHS 分類 | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P270, P271, P273, P280, P301+P317, P304+P340, P316, P318, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H301 (50.9%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P260, P261, P264, P270, P271, P273, P280, P284, P301+P316, P301+P317, P304+P340, P316, P318, P320, P321, P330, P391, P403+P233, P405, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Commission Regulation (EC) No 451/20002007/615 |
| Hazard Classes and Categories | Acute Tox. 3 (50.9%)Reproductive toxicity - category 2Acute toxicity (Oral) - Category 3Reproductive toxicity - Category 1BRepr. 2 |
| Treatment | If the compound has been ingested, rapid gastric lavage should be performed using 5% sodium bicarbonate. For skin contact, the skin should be washed with soap and water. If the compound has entered the eyes, they should be washed with large quantities of isotonic saline or water. In serious cases, atropine and/or pralidoxime should be administered. Anti-cholinergic drugs work to counteract the effects of excess acetylcholine and reactivate AChE. Atropine can be used as an antidote in conjunction with pralidoxime or other pyridinium oximes (such as trimedoxime or obidoxime), though the use of '-oximes' has been found to be of no benefit, or possibly harmful, in at least two meta-analyses. Atropine is a muscarinic antagonist, and thus blocks the action of acetylcholine peripherally. |
| 健康影響 | Acute exposure to cholinesterase inhibitors can cause a cholinergic crisis characterized by severe nausea/vomiting, salivation, sweating, bradycardia, hypotension, collapse, and convulsions. Increasing muscle weakness is a possibility and may result in death if respiratory muscles are involved. Accumulation of ACh at motor nerves causes overstimulation of nicotinic expression at the neuromuscular junction. When this occurs symptoms such as muscle weakness, fatigue, muscle cramps, fasciculation, and paralysis can be seen. When there is an accumulation of ACh at autonomic ganglia this causes overstimulation of nicotinic expression in the sympathetic system. Symptoms associated with this are hypertension, and hypoglycemia. Overstimulation of nicotinic acetylcholine receptors in the central nervous system, due to accumulation of ACh, results in anxiety, headache, convulsions, ataxia, depression of respiration and circulation, tremor, general weakness, and potentially coma. When there is expression of muscarinic overstimulation due to excess acetylcholine at muscarinic acetylcholine receptors symptoms of visual disturbances, tightness in chest, wheezing due to bronchoconstriction, increased bronchial secretions, increased salivation, lacrimation, sweating, peristalsis, and urination can occur. Chronically high (>10 years) exposure leads to neuropsychological consequences including disturbances in perception and visuo-motor processing (A15321). |
| 暴露経路 | Inhalation (L793)oral (L793)dermal (L793) |
| 毒性の概要 | Benfuracarb is a cholinesterase or acetylcholinesterase (AChE) inhibitor. Carbamates form unstable complexes with chlolinesterases by carbamoylation of the active sites of the enzymes. This inhibition is reversible. A cholinesterase inhibitor suppresses the action of acetylcholine esterase. Because of its essential function, chemicals that interfere with the action of acetylcholine esterase are potent neurotoxins, causing excessive salivation and eye-watering in low doses. Headache, salivation, nausea, vomiting, abdominal pain and diarrhea are often prominent at higher levels of exposure. Acetylcholine esterase breaks down the neurotransmitter acetylcholine, which is released at nerve and muscle junctions, in order to allow the muscle or organ to relax. The result of acetylcholine esterase inhibition is that acetylcholine builds up and continues to act so that any nerve impulses are continually transmitted and muscle contractions do not stop. |
| Signs and Symptoms | As with organophosphates, the signs and symptoms are based on excessive cholinergic stimulation. Unlike organophosphate poisoning, carbamate poisonings tend to be of shorter duration because the inhibition of nervous tissue acetylcholinesterase is reversible, and carbamates are more rapidly metabolized. Muscle weakness, dizziness, sweating and slight body discomfort are commonly reported early symptoms. Headache, salivation, nausea, vomiting, abdominal pain and diarrhea are often prominent at higher levels of exposure. Contraction of the pupils with blurred vision, incoordination, muscle twitching and slurred speech have been reported. (L795) |
| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
| 水環境危害等級（WGK） | 3 |
| RTECS 番号 | AY5088000 |
| 輸送番号（UN） | 2992 |
| 毒性 | LD50 in male rats, mice, dogs (mg/kg): 138, 175, 300 orally (Goto) |
| PRTR法 | 第1種指定化学物質 |
| 税関コード | 29329990 |
| 危険文句（R） | 23/25-50/53-62-23-22 |
| 化審法 | 一般化学物質 |
| 安衛法 | 57,57-2 |
| 消防法 | 危-4-3-III |
| 危険表示 | T,N |
| 安全措置（S） | 36/37-45-60-61 |
| 危険等級 | 6.1(b)Acute Tox. 3 InhalationAcute Tox. 3 OralAquatic Acute 1Aquatic Chronic 1Repr. 2 |
| 包装等級 | III |
| 毒劇物取締法 | III |
| 貯蔵分類 | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
用途
用途
氨基甲酸酯类殺虫
使用
Benfuracarb is a benzofuranyl methylcarbamate based insecticide used to control aphids, springtails and other pests usually on beet crops.