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N-(ジブチルアミノチオ)-N-メチルカルバミド酸2,3-ジヒドロ-2,2-ジメチルベンゾフラン-7-イル
カルボスルファン · アドバンテージ · ガゼット · N-(N,N-ジブチルアミノチオ)-N-メチルカルバミド酸2,3-ジヒドロ-2,2-ジメチルベンゾフラン-7-イル · マーシャル · N-(ジブチルアミノチオ)-N-メチルカルバミド酸2,3-ジヒドロ-2,2-ジメチルベンゾフラン-7-イル · N-ジブチルアミノチオ-N-メチルカルバミン酸2,3-ジヒドロ-2,2-ジメチル-7-ベンゾ[b]フラニル · ポッセ
識別子と物理属性
| CAS No. | 55285-14-8 |
|---|---|
| 分子式 | C20H32N2O3S |
| 平均分子量 | 380.5 g/mol |
| 単同位体質量 | 380.21336388 g/mol |
| SMILES | CCCCN(CCCC)SN(C)C(=O)Oc1cccc2c1OC(C)(C)C2 |
| InChIKey | JLQUFIHWVLZVTJ-UHFFFAOYSA-N |
| PubChem CID | 41384 |
| ChEMBL | CHEMBL2228572 |
| ChEBI | CHEBI:38476 |
| EC No. | 259-565-9 |
| DTXSID | DTXSID5023950 |
| 現地名 | N-(ジブチルアミノチオ)-N-メチルカルバミド酸2,3-ジヒドロ-2,2-ジメチルベンゾフラン-7-イル |
化学・物理的性質
| XLogP | 5.7 |
|---|---|
| 極性表面積 | 67.3 |
| 水素結合供与体数 | 0 |
| 水素結合受容体数 | 5 |
| 回転可能結合数 | 10 |
| 重原子数 | 26 |
| 形式電荷 | 0 |
| 複雑度 | 439 |
| 農薬 | Pesticide -> EPA IRISInsecticides, NematicidesActive substance -> EU Pesticides database: Not approvedPesticides -> Carbamate InsecticidesEnvironmental transformation -> Pesticides (parent, predecessor) |
| LogP（分配係数） | 5.0 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 蒸気圧 | 0.00000031 [mmHg]3.1 x 10-5 Pa (20 °C) |
| Physical Description | Carbosulfan is a viscous brown liquid.Brown viscous liquid[Merck Index] Medium yellow viscous liquidOdorless to slight amine odor[EFSA: DAR - Vol. 1] |
| Collision Cross Section | 188.3 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID5023950]190.66 Ų [M+H]+ [CCS Type: TWIonization: GC-APCI+] |
| 融点 | <25 °C |
| 沸点 | approximate 126℃ |
| 密度 | 1.0560 |
| 屈折率 | 1.6360 (estimate) |
| 引火点 | 96 °C |
| 貯蔵条件 | 0-6°C |
| 溶解度 | Chloroform (Slightly), Methanol (Slightly)0.3 mg l-1 (25 °C) |
| 外観・状態 | Liquid |
| pKa（酸解離定数） | 3.15±0.70(Predicted) |
| 色 | Light brown to brown |
| Merck | 13,1836 |
| ヘンリー定数 | 1.9×101 mol/(m3Pa) at 25℃, Duchowicz et al. (2020) |
| 主な用途 | 農業環境 |
| InChI | 1S/C20H32N2O3S/c1-6-8-13-22(14-9-7-2)26-21(5)19(23)24-17-12-10-11-16-15-20(3,4)25-18(16)17/h10-12H,6-9,13-15H2,1-5H3 |
| InChIKey | JLQUFIHWVLZVTJ-UHFFFAOYSA-N |
| SMILES | CCCCN(CCCC)SN(C)C(=O)Oc1cccc2CC(C)(C)Oc12 |
| LogP（分配係数） | 6.050 (est) |
| CAS データベース | 55285-14-8(CAS DataBase Reference) |
| NISTの化学物質情報 | Carbamic acid, [(dibutylamino)thio]methyl-, 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester(55285-14-8) |
| EPAの化学物質情報 | Carbosulfan (55285-14-8) |
化学的特性
Orange-yellow thick liquid.
安全性と法規制
| GHS 分類 | DangerH301: Toxic if swallowed [Danger Acute toxicity, oral]P260, P261, P264, P270, P271, P272, P273, P280, P284, P301+P316, P302+P352, P304+P340, P316, P320, P321, P330, P333+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
|---|---|
| 規制情報 | Commission Regulation (EC) No 451/20002007/415The 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.) |
| 輸送ラベル（DOT） | Poison |
| 火災危険 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 健康有害性 | Excerpt from ERG Guide 153 [Substances - Toxic and/or Corrosive (Combustible)]: |
| 有害性の概要 | Carbamate cholinesterase inhibitorHydrolyzed to carbofuran in the soil[Merck Index] Insecticidal activity from the in vitro cleavage of the N-S bond forming carbofuranNot irritating to skin or eyesMay cause skin sensitizationDevelopmental toxicity and teratogenicity observed in rats and rabbits at doses not overtly maternally toxicNo evidence of carcinogenicity or organophosphorus induced delayed neurotoxicity [EFSA: DAR - Vol. 1] A mild skin irritant[RTECS] A mild skin irritantToxic by ingestion and inhalation[Sigma-Aldrich MSDS] See Carbofuran. See CARBAMATE INSECTICIDES. |
| 反応性グループ | Thiocarbamate Esters and Salts/Dithiocarbamate Esters and Salts |
| Reactivity Profile | CARBOSULFAN is a thiocarbamate. Flammable gases are generated by the combination of thiocarbamates and dithiocarbamates with aldehydes, nitrides, and hydrides. Thiocarbamates and dithiocarbamates are incompatible with acids, peroxides, and acid halides. |
| Air and Water Reactions | Thio and dithiocarbamates slowly decompose in aqueous solution to form carbon disulfide and methylamine or other amines. Such decompositions are accelerated by acids. |
用途
用途
氨基甲酸酯类殺虫
説明
Carbosulfan (8)，2,3-dihydro-2,2-dimethylbenzofuran- 7-yl(dibutylaminothio)methylcarbamate(IUPAC), is an orange to brown, clear viscous liquid (bp 124–128 C), miscible with organic solvents and solubility 0.3 ppm in water(25 C). It is closely related structurally to carbofuran,and like carbofuran, it is a cholinesterase inhibitor with systemic activity.
使用
Carbosulfan is an insecticide with contact and stomach action. It is used to control a wide range of soil-dwelling and foliar pests in cotton, sugar beet, potato, rice, fruit, maize, vegetables, sugar cane and coffee.
一般的な説明
Viscous brown liquid.