4096-21-3

• 常用中文名：1-苯基吡咯烷
• 常用英文名：1-Phenylpyrrolidine
• CAS号：4096-21-3
• 分子式：C₁₀H₁₃N
• 分子量：147.217
• 发布时间：2018-09-22 11:58:20
• 更新时间：2024-01-02 15:13:18
• 【用途一】
  该品是驱肠虫药驱晓净的中间体。

名称

• 中文名: 1-苯基吡咯烷
• 英文名: 1-Phenylpyrrolidine
• 中文别名: 1-苯基吡咯啉
• 英文别名: N-Phenylpyrrolidine; phenylpyrrolidine; EINECS 223-849-0; Pyrrolidine,1-phenyl; MFCD00015897; 1-phenylpyrollidine; 1-Phenyl-pyrrolidine; Pyrrolidine, 1-phenyl-; N-phenyl azacyclopentane; 1-Phenylpyrrolidine

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 237.8±9.0 °C at 760 mmHg
• 分子式: C₁₀H₁₃N
• 分子量: 147.217
• 闪点: 89.0±15.6 °C
• 精确质量: 147.104797
• PSA: 3.24000
• LogP: 2.42
• 蒸汽压: 0.0±0.5 mmHg at 25°C
• 折射率: 1.559
• 储存条件:

  避光，通风干燥处，密封保存

• 稳定性:

  常温常压下稳定，油状液体。沸点119-120℃（1.6kPa），81℃（0.06kPa）。相对密度1.0260（25/4℃）。折光率1.5813。溶于乙醚

• 计算化学:

  1.疏水参数计算参考值（XlogP）:无

  2.氢键供体数量:0

  3.氢键受体数量:1

  4.可旋转化学键数量:1

  5.互变异构体数量:无

  6.拓扑分子极性表面积3.2

  7.重原子数量:11

  8.表面电荷:0

  9.复杂度:110

  10.同位素原子数量:0

  11.确定原子立构中心数量:0

  12.不确定原子立构中心数量:0

  13.确定化学键立构中心数量:0

  14.不确定化学键立构中心数量:0

  15.共价键单元数量:1

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: 1-Phenylpyrrolidine Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. H301:Toxic if swallowed H311:Toxic in contact with skin P280:Wear protective gloves/protective clothing/eye protection/face protection P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician P361:Remove/Take off immediately all contaminated clothing P312:Call a POISON CENTER or doctor/physician if you feel unwell P405:Store locked up Section3. Composition/information on ingredients. Ingredient name:1-Phenylpyrrolidine CAS number:4096-21-3 Section4. First aid measures Skin contact:Immediately wash skin with copious amounts of water for at least 15 minutes while removing contaminated clothing and shoes. If irritation persists, seek medical attention. Eye contact:Immediately wash skin with copious amounts of water for at least 15 minutes. Assure adequate flushing of the eyes by separating the eyelids with fingers. If irritation persists, seek medical attention. Inhalation:Remove to fresh air. In severe cases or if symptoms persist, seek medical attention. Ingestion:Wash out mouth with copious amounts of water for at least 15 minutes. Seek medical attention. Section5. Fire fighting measures In the event of a fire involving this material, alone or in combination with other materials, use dry powder or carbon dioxide extinguishers. Protective clothing and self-contained breathing apparatus should be worn. Section6. Accidental release measures Personal precautions: Wear suitable personal protective equipment which performs satisfactorily and meets local/state/national standards. Respiratory precaution:Wear approved mask/respirator Hand precaution:Wear suitable gloves/gauntlets Skin protection:Wear suitable protective clothing Eye protection:Wear suitable eye protection Methods for cleaning up: Mix with sand or similar inert absorbent material, sweep up and keep in a tightly closed container for disposal. See section 12. Environmental precautions: Do not allow material to enter drains or water courses. Section7. Handling and storage Handling:This product should be handled only by, or under the close supervision of, those properly qualified in the handling and use of potentially hazardous chemicals, who should take into account the fire, health and chemical hazard data given on this sheet. Storage:Store in closed vessels. Section8. Exposure Controls / Personal protection Engineering Controls: Use only in a chemical fume hood. Personal protective equipment: Wear laboratory clothing, chemical-resistant gloves and safety goggles. General hydiene measures: Wash thoroughly after handling. Wash contaminated clothing before reuse. Section9. Physical and chemical properties Appearance:Not specified No data Boiling point: Melting point:No data Flash point:No data Density:No data Molecular formula: C10H13N Molecular weight: 147.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide, nitrogen oxides. Section11. Toxicological information No data. Section12. Ecological information No data. Section13. Disposal consideration Arrange disposal as special waste, by licensed disposal company, in consultation with local waste disposal authority, in accordance with national and regional regulations. Section14. Transportation information Non-harzardous for air and ground transportation. Section15. Regulatory information No chemicals in this material are subject to the reporting requirements of SARA Title III, Section 302, or have known CAS numbers that exceed the threshold reporting levels established by SARA Title III, Section 313. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

毒理学数据: 主要的刺激性影响： 在皮肤上面:刺激皮肤和粘膜。 在眼睛上面:刺激的影响 致敏作用：没有已知的敏化作用。 生态学数据: 总括注解 水危害级别1（德国规例）（通过名单进行自我评估）该物质对水有稍微危害的。 不要让未稀释或大量的产品接触地下水、水道或污水系统。 若无政府许可，勿将材料排入周围环境。

安全

• 风险声明 (欧洲): R21/22
• 安全声明 (欧洲): S28-S36/37
• 危险品运输编码: 2810
• 包装等级: III
• 海关编码: 2933990090

合成路线

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上游产品  9
123-75-1 591-50-4 110-63-4 1125-99-1
4641-57-0 108-90-7 7309-47-9 98-80-6
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下游产品  9
4641-57-0 103-70-8 635-90-5 51980-54-2
10220-22-1 22090-27-3 22090-26-2 87698-81-5
21557-09-5

制备

由1,4-二溴丁烷与苯胺环合而得。将碳酸钠配制成水溶液，加入二溴丁烷和苯胺。搅拌加热至90℃，保温反应6h，冷却静置分层，取油层用水洗至pH为7，用无水硫酸钠脱除水分即得N-苯基吡咯烷。

海关

海关编码	2933990090
中文概述	2933990090. 其他仅含氮杂原子的杂环化合物. 增值税率:17.0%. 退税率:13.0%. 监管条件:无. 最惠国关税:6.5%. 普通关税:20.0%
申报要素	品名, 成分含量, 用途, 乌洛托品请注明外观, 6－己内酰胺请注明外观, 签约日期
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%