873-49-4

• 常用中文名：环丙基苯
• 常用英文名：Cyclopropylbenzene
• CAS号：873-49-4
• 分子式：C₉H₁₀
• 分子量：118.176
• 发布时间：2018-08-13 11:28:26
• 更新时间：2024-01-03 11:32:42

名称

• 中文名: 环丙基苯
• 英文名: cyclopropylbenzene
• 中文别名: 苯基环丙烷
• 英文别名: Cyclopropane,phenyl; phenylcyclopropane; Benzene, cyclopropyl-; Cyclopropylbenzene; Benzene,cyclopropyl; 1-cyclopropylbenzene; Cyclopropyl-benzene; Cyclopropane, phenyl-; MFCD00001275; EINECS 212-839-1; 1-PHENYLCYCLOPROPANE

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 175.3±7.0 °C at 760 mmHg
• 分子式: C₉H₁₀
• 分子量: 118.176
• 闪点: 43.9±0.0 °C
• 精确质量: 118.078247
• LogP: 3.27
• 外观性状: 液体;Colorless to Yellow clear liquid
• 蒸汽压: 1.6±0.2 mmHg at 25°C
• 折射率: 1.566
• 储存条件:

  常温， 避光，通风干燥处

• 稳定性:

  常温常压下稳定

• 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:0

  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0

  7.重原子数量:9

  8.表面电荷:0

  9.复杂度:86.2

  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

• 更多:

  1. 性状：未确定

  2. 密度（g/mL,20/4℃）：0.9418

  3. 液相标准声称热(焓)( kJ·mol^-1)：100.3

  4. 熔点（ºC）：-31

  5. 沸点（ºC,常压）：173.6

  6. 常温折射率（n²⁰）：1.58285

  7. 折射率：1.533

  8. 闪点（ºC）：44

  9. 液相标准燃烧热(焓)(kJ·mol^-1)：-5071.0

  10. 气相标准燃烧热(焓)(kJ·mol^-1)：-5121.2

  11. 气相标准声称热(焓)( kJ·mol^-1) ：150.5

  12. 饱和蒸气压（kPa,60ºC）：未确定

  13. 燃烧热（KJ/mol）：未确定

  14. 临界温度（ºC）：未确定

  15. 临界压力（KPa）：未确定

  16. 油水（辛醇/水）分配系数的对数值：未确定

  17. 爆炸上限（%,V/V）：未确定

  18. 爆炸下限（%,V/V）：未确定

  19. 溶解性：未确定

MSDS

Material Safety Data Sheet Section1. Identification of the substance Product Name: Cyclopropylbenzene Synonyms: Section2. Hazards identification Harmful by inhalation, in contact with skin, and if swallowed. Flammable liquid and vapour H226: Section3. Composition/information on ingredients. Ingredient name:Cyclopropylbenzene CAS number:873-49-4 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:C9H10 Molecular weight:118.2 Section10. Stability and reactivity Conditions to avoid: Heat, flames and sparks. Materials to avoid: Oxidizing agents. Possible hazardous combustion products: Carbon monoxide. 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 UN Number:UN3295Class: 3Packing group: III Proper shipping name: HYDROCARBONS, LIQUID, N.O.S. (Cyclopropylbenzene) 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

生态学数据: 通常对水是不危害的，若无政府许可，勿将材料排入周围环境

安全

• 风险声明 (欧洲): R10
• 安全声明 (欧洲): S16
• 危险品运输编码: UN 3295 3/PG 3
• WGK德国: 3
• 包装等级: III
• 危险类别: 3.2
• 海关编码: 2902909090

合成路线

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制备

1.制法：

1,3-二溴-1-苯基丙烷(3):于装有搅拌器、回流冷凝器的反应瓶中，加入1-溴-3-苯基丙烷(2)199g（1.0mol），NBS187g(1.05mol),3g过氧化苯甲酰，1.2L四氯化碳。搅拌下加入至回流，直至反应开始。如有必要可以用冰浴冷却。反应缓和后，停止搅拌，瓶底有较少的沉淀(NBS)，生成的丁二酰亚胺浮于液面。继续加热和搅拌，直至无溴化氢生成。冷却后抽滤，滤饼用四氯化碳洗涤。浴温40～50℃减压蒸出四氯化碳，最后减压至13.3Pa，尽量除尽溶剂，几乎定量的得到化合物(3)，直接用于下一步反应。环丙基苯(1):于装有搅拌器、温度计、滴液漏斗的反应瓶中，加热新蒸馏的DMF500mL，由131g(2.0mol)锌制备的锌-酮催化剂。搅拌下冰浴冷至7℃，滴加化合物(3)，控制滴加速度，保持反应液温度在7～9℃.精细化继续搅拌反应30min。倒入1L水中，水蒸汽蒸馏，直至无油状物，或接收约1L的液体。分出有机层，水层用乙醚提取3次，每次100mL。合并乙醚层，水洗4次，无水碳酸钾干燥，蒸出乙醚后，继续蒸馏，收集170～175℃的馏分，得化合物(1)88～100g，收率75%～85%。nD²⁶1.5306～1.5318。锌-铜催化剂按如下方法制备：131g锌粉，连续而迅速地依次洗涤：100mL(3%)的盐酸洗涤3次、100mL水洗涤2次、200mL(2%)的硫酸铜溶液洗涤2次(铜的颜色消失)、200mL水洗涤2次、100mL丙酮洗涤2次、100mL的DMF洗涤2次，并用DNF冲洗至反应容器中。

海关

海关编码	2902909090
中文概述	2902909090. 其他芳香烃. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:2.0%. 普通关税:30.0%
申报要素	品名, 成分含量
Summary	2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%