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N-乙基脲
乙脲 · 乙基脲 · 乙基尿素 · N-乙基脲 · 乙基脲,97% · 乙基尿素,98% · 1-Ethylurea · N-ETHYLUREA
标识与物理属性
| CAS No. | 625-52-5 |
|---|---|
| 分子式 | C3H8N2O |
| 平均分子量 | 88.11 g/mol |
| 单同位素质量 | 88.06366288 g/mol |
| SMILES | CCNC(N)=O |
| InChIKey | RYECOJGRJDOGPP-UHFFFAOYSA-N |
| PubChem CID | 12254 |
| EC No. | 210-898-8 |
| DTXSID | DTXSID20873854 |
| 中文名 | N-乙基脲 |
化学与物理性质
| XLogP | -0.7 |
|---|---|
| 极性表面积 | 55.1 |
| 氢键供体 | 2 |
| 氢键受体 | 1 |
| 可旋转键 | 1 |
| 重原子 | 6 |
| 形式电荷 | 0 |
| 复杂度 | 52.8 |
| Polymers | Plastics & Rubber -> Polymers |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| 农药 | Environmental transformation -> Pesticide transformation products (metabolite, successor) |
| LogP（油水分配系数） | -0.74 |
| Food Contact Substances | FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR |
| Physical Description | Solid[Elite Foam MSDS] |
| 熔点 | 87-90 °C (lit.) |
| 沸点 | 163.08°C (rough estimate) |
| 密度 | 1.2130 |
| 折射率 | 1.4715 (estimate) |
| 闪点 | 93 °C |
| 储存条件 | Sealed in dry,Room Temperature |
| 溶解性 | H2O: 0.1 g/mL, clear, colorlesssoluble |
| pKa（酸度系数） | 14.39±0.46(Predicted) |
| 形态 | Solid |
| 颜色 | Off-White to Pale Yellow |
| BRN | 1740512 |
| InChI | 1S/C3H8N2O/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6) |
| InChIKey | RYECOJGRJDOGPP-UHFFFAOYSA-N |
| SMILES | CCNC(N)=O |
| CAS 数据库 | 625-52-5(CAS DataBase Reference) |
| NIST化学物质信息 | Urea, ethyl-(625-52-5) |
| EPA化学物质信息 | Ethylurea (625-52-5) |
化学性质
乙基脲纯品为白色结晶，m.p.92℃，工业品为白色鳞片状固体，易吸潮，在水中溶解度很大。
安全与法规
| GHS 分类 | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.This chemical does not meet GHS hazard criteria for 100% (3 of 3) of all reports. |
|---|---|
| 法规信息 | Chemical: Urea, ethyl-Urea, ethyl-: Does not have an individual approval but may be used under an appropriate group standard |
| 危害概述 | Human inhalation of 12 mg/m3 for 11 weeks causes visual field changes[RTECS] Dust may cause mechanical irritation[Elite Foam MSDS] See DIISOCYANATES. |
| Hazard Classes and Categories | Skin Irrit. 2 (66.7%)Not Classified |
| Protective Action Criteria (PAC) | 120 [mg/m3]1300 [mg/m3]7900 [mg/m3] |
| Carcinogen Classification | Polyurethane foamsGroup 3: Not classifiable as to its carcinogenicity to humansVolume 19: (1979) Some Monomers, Plastics and Synthetic Elastomers, and Acrolein1987NB This CAS No. has been deleted. |
| 水危害等级（WGK） | 3 |
| TSCA 清单状态 | TSCA listed |
| RTECS 号 | YT2335000 |
| 包装类别 | III |
| 储存类别 | 11 - Combustible Solids |
| 安全说明（S） | 22-24/25 |
| 海关编码 | 29241990 |
| 危险品标志 | Xn |
| 危险类别码（R） | 68-37-20/21/22 |
| 运输编号（UN） | 1325 |
用途与应用
用途
乙基脲是杀菌剂霜脲氰的中间体。
用途
用于医药、农药合成的中间体
制备与合成方法
生产方法
其制备方法是在反应釜中加入甲苯、尿素，加盖密封，搅拌加热到一定温度，随后通入定量的乙胺，通毕继续搅拌0.5h，冷至40～50℃，将物料放至结晶锅，继续冷至0～5℃，过滤，干燥，得白色鳞片状结晶为成品。