除草定 100μg/ml in methylbenzene
Bromacil
品牌：桔子
产品编号：B60729
CAS号：314-40-9
分子式：C9H13BrN2O2
分子量：261.12
| 产品名称 : | 除草定 |
|---|---|
| 英文名称 : | Bromacil |
| 参考名称 : | 5-溴-3-(仲丁基)-6-甲基嘧啶-2,4(1H,3H)-二酮 |
| 参考英文名称 : | 5-Bromo-3-(sec-butyl)-6-methylpyrimidine-2,4(1H,3H)-dione |
| CAS号 : | 314-40-9 |
| 分子式 : | C9H13BrN2O2 |
| 分子量 : | 261.12 |
| SMILES : | CCC(C)N1C(=O)C(=C(NC1=O)C)Br |
| PubChem CID : | 9411 |
| InChIKey : | CTSLUCNDVMMDHG-UHFFFAOYSA-N |
| 储存条件 : | 2-8℃ |
实验性质
| 外观 / 形态 : | Bromacil appears as colorless to white odorless crystalline solid. Used as an herbicide. Commercially available as a wettable powder or in liquid formulations. (NIOSH, 2024)；COLOURLESS-TO-WHITE CRYSTALS.；Odorless, colorless to white, crystalline solid.；Odorless, colorless to white, crystalline solid. [herbicide] [Note: Commercially available as a wettable powder or in liquid formulations.]；Odorless, colorless to white, crystalline solid. [herbicide] [Note: Commercially available as a wettable powder or in liquid formulations.]; [NIOSH] |
|---|---|
| 颜色 / 形态 : | White crystalline solid；White to light-tan crystalline solid；Colorless to white, crystalline solid [Note: Commercially available as a wettable powder or in liquid formulations] |
| 熔点 : | 158 °C；158-160 °C；317 °F (Sublimes)；317 °F (Sublimes) (NIOSH, 2024)；317 °F (sublimes) |
| 沸点 : | Sublimes；Sublimes (NIOSH, 2024)；sublimes |
| 密度 : | 1.55；1.55 (NIOSH, 2024) - Denser than water; will sink；1.55 g/cm³；1.55 g/cu cm at 25 °C |
| 溶解性 : | SPARINGLY SOL IN HYDROCARBONS；Moderately soluble in strong aqueous bases；Soluble in 3% aqueous NaOH；In n-hexane 0.023 toluene 3.0, acetonitrile 4.65, acetone 11.4, methylene chloride 12.0 (all in g/100 mL, 20 °C)；For more Solubility (Complete) data for BROMACIL (6 total), please visit the HSDB record page. |
| 蒸气压 : | (212 °F): 0.0008 mmHg；0.00000031 [mmHg]；0.0008 mmHg at 212 °F；0.0008 mmHg at 212 °F (NIOSH, 2024)；4.1X10-2 mPa /3.07X10-7 mm Hg/ at 25 °C；Vapor pressure at 25 °C: negligible |
| 解离常数 pKa : | pKa = 9.30 at 25 °C |
| LogP : | log Kow = 2.11 |
| 热分解说明 : | ... Decomposes slowly in strong acids.；When heated to decomp it emits very toxic fumes of /hydrogen bromide and nitrogen oxides/. |
| 气味 : | Odorless |
计算性质
| LogP : | 2.1 |
|---|---|
| 极性表面积 (TPSA) : | 49.4 Ų |
| 氢键供体数 : | 1 |
| 氢键受体数 : | 2 |
| 可旋转键数 : | 2 |
| 精确质量 : | 260.01604 Da |
| 重原子数 : | 14 |
| 分子复杂度 : | 312 |
资料来源：除草定产品资料页；来源页标注 PubChem CID 9411，资料日期 2026-10-11。
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