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N-(3,4-ジクロロフェニル)プロパンアミド
N-(3,4-ジクロロフェニル)プロピオンアミド · ログエ · プロパニル · スルコプル · スタムF-34 · N-(3,4-ジクロロフェニル)プロパンアミド · プロパニル標準品 · プロパニル (DCPA)
識別子と物理属性
| CAS No. | 709-98-8 |
|---|---|
| 分子式 | C9H9Cl2NO |
| 平均分子量 | 218.08 g/mol |
| 単同位体質量 | 217.00611927 g/mol |
| SMILES | CCC(=O)Nc1ccc(Cl)c(Cl)c1 |
| InChIKey | LFULEKSKNZEWOE-UHFFFAOYSA-N |
| PubChem CID | 4933 |
| ChEMBL | CHEMBL1222498 |
| ChEBI | CHEBI:34936 |
| EC No. | 211-914-6 |
| DTXSID | DTXSID8022111 |
| 現地名 | N-(3,4-ジクロロフェニル)プロパンアミド |
化学・物理的性質
| XLogP | 3.1 |
|---|---|
| 極性表面積 | 29.1 |
| 水素結合供与体数 | 1 |
| 水素結合受容体数 | 1 |
| 回転可能結合数 | 2 |
| 重原子数 | 13 |
| 形式電荷 | 0 |
| 複雑度 | 186 |
| SpringerMaterials Properties | Fusion temperature |
| 農薬 | Pesticide -> EPA IRISHerbicidesActive substance -> EU Pesticides database: Not approvedPesticides -> Herbicides, AnilidePesticide (Propanil) -> USDA PDB |
| LogP（分配係数） | log Kow = 3.073.123.3 |
| 臭い | Odorless |
| 密度 | 1.25 g/cu cm at 25 °CDensity (at 25 °C): 1.4 g/cm³ |
| Color/Form | White crystalline solid /Purity not provided/Colorless crystals /Purity not provided/Light brown solid (pure)Dark oily liquidSolid, white-gray |
| 溶解度 | Solubility in water at room temperature: 225 ppmIn water 130 mg/L at 20 °Cin isopropanol and dichloromethane >200 g/L at 20 °C, toluene 50-100 g/L at 20 °C, and hexane <1 g/L at 20 °Cin benzene 7X10+4 mg/L at 25 °C, acetone 1.7X10+6 mg/L at 25 °C, and ethanol 1.1X10+6 mg/L at 25 °C.Sparingly soluble in aromatic solventsIn water, 152 mg/L at 25 °CSolubility in water, g/l at 20 °C: 0.13 (very poor)DMSO (Slightly), Methanol (Slightly)225mg/L(室温) |
| Corrosivity | Corrosive to polyethyleneNon-corrosive under normal use conditions. |
| 引火点 | >100 °C |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| 沸点 | 351 °C369.9±32.0 °C(Predicted) |
| Decomposition | When heated to decomposition it emits very toxic fumes of /hydrogen chloride and nitrogen oxides./ |
| 融点 | 92-93°C |
| 屈折率 | 1.5680 (estimate) |
| 貯蔵条件 | 0-6°C |
| pKa（酸解離定数） | 13.58±0.70(Predicted) |
| 外観・状態 | 個体 |
| 色 | ダークブラウン、ブルーブラック |
| 由来生物 | rabbit |
| Merck | 13,7896 |
| BRN | 2365645 |
| ヘンリー定数 | 1.3×101 mol/(m3Pa) at 25℃, Chao et al. (2017) |
| 主な用途 | 農業環境 |
| InChI | 1S/C9H9Cl2NO/c1-2-9(13)12-6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3,(H,12,13) |
| InChIKey | LFULEKSKNZEWOE-UHFFFAOYSA-N |
| SMILES | CCC(=O)Nc1ccc(Cl)c(Cl)c1 |
| LogP（分配係数） | 3.070 |
| CAS データベース | 709-98-8 |
| NISTの化学物質情報 | Propanil(709-98-8) |
| EPAの化学物質情報 | Propanil (709-98-8) |
化学的特性
Propanil is a colorless solid. The technical product is a brown crystalline solid.
安全性と法規制
| GHS 分類 | WarningH302: Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, and P501 (click each P-code to see the statement)H302+H332 (47.9%): Harmful if swallowed or if inhaled [Warning Acute toxicity, oralacute toxicity, inhalation]P261, P264, P270, P271, P273, P301+P317, P304+P340, P317, P330, P391, and P501 (click each P-code to see the statement) |
|---|---|
| 規制情報 | Hazard Traits - Hazard Trait UndefinedRegulation (EC) No 1107/2009 (amended)Propanil is listed in the dataset of EPA Human Health Benchmarks for Pesticides under the Safe Drinking Water Act (40 eCFR 141)2008/769, Reg. (EU) No 1078/2011, Reg. (Eu) No 2019/148Propanil: HSNO Approval: HSR005183 Approved with controlsThe 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 - Propanamide, N-(3,4-dichlorophenyl)-: Human health tier I assessment |
| 輸送ラベル（DOT） | Class 9 |
| 火災危険 | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]:Combustible. Gives off irritating or toxic fumes (or gases) in a fire. Risk of fire and explosion if formulations contain flammable/explosive solvents. |
| 健康有害性 | Excerpt from ERG Guide 171 [Substances (Low to Moderate Hazard)]: |
| 有害性の概要 | Skin and respiratory irritant[EPA Pesticides, p. 119] May be contaminated by chemicals that can induce chloracne. [Rosenstock, p. 714] Chloracne and methemoglobinemia reported in a study of workers in a pesticide plant producing propanil[HSDB] The following herbicides have an oral LD50 of >1 gm/kg and have little or no acute toxicity in humans: Alachlor, Amitrole, Ammonium sulfamate, Atrazine, Dalapon, Dicamba, Glyphosphate, Monuron, Oryzalin, Picloram, Propanil, Simazine, etc. [LaDou, p. 613] Short-term exposure may affect the nervous system and blood leading to formation of methemoglobin[ICSC] |
| 反応性グループ | Amides and Imides |
用途
説明
propanil is used as a rice herbicide. The resistance of rice plants toward propanil has been found in an enzyme aryl-acylamidase that rapidly hydrolyzes the herbicide. This enzyme can be inhibited by carbamate insecticides, and this can lead to an increased propanil phytotoxicity (38).
使用
Propanil is a a widely used herbicide. Propanil is used mainly to control weed growth in rice fields.
一般的な説明
Colorless to brown crystals. Non corrosive. Used as an herbicide.