155155-73-0

• 常用中文名：(2R,5R)-2,5-二苯基吡咯烷
• 常用英文名：(2R,5R)-2,5-Diphenylpyrrolidine
• CAS号：155155-73-0
• 分子式：C₁₆H₁₇N
• 分子量：223.313
• 发布时间：2018-12-02 05:56:17
• 更新时间：2024-01-14 10:06:31

名称

• 中文名: (2R,5R)-2,5-二苯基吡咯烷
• 英文名: (2R,5R)-2,5-diphenylpyrrolidine
• 中文别名: (2R,5R)-二苯基吡咯烷
• 英文别名: Pyrrolidine, 2,5-diphenyl-, (2R,5R)-; (+)-(R,R)-2,5-diphenylpyrrolidine; (R,R)-trans-2,5-diphenylpyrrolidine; MFCD07772441; (2R,5R)-Diphenylpyrrolidine; D3185; (+)-trans-2,5-diphenylpyrrolidine; (2R,5R)-2,5-Diphenylpyrrolidine; (2R,5R)-(+)-2,5-diphenylpyrrolidine; (2R,5R)-2,5-diphenylprrolidine

物化性质

• 密度: 1.0±0.1 g/cm3
• 沸点: 356.1±41.0 °C at 760 mmHg
• 熔点: 50ºC
• 分子式: C₁₆H₁₇N
• 分子量: 223.313
• 闪点: 178.1±23.1 °C
• 精确质量: 223.136093
• PSA: 12.03000
• LogP: 3.22
• 外观性状: 固体;White to Yellow to Orange powder to crystal
• 蒸汽压: 0.0±0.8 mmHg at 25°C
• 折射率: 1.578
• 储存条件: 存放于惰性气体之中;避免空气
• 水溶解性: 可溶于：氯仿
• 计算化学:

  1.疏水参数计算参考值（XlogP）:3.3

  2.氢键供体数量:1

  3.氢键受体数量:1

  4.可旋转化学键数量:2

  5.互变异构体数量:无

  6.拓扑分子极性表面积12

  7.重原子数量:17

  8.表面电荷:0

  9.复杂度:202

  10.同位素原子数量:0

  11.确定原子立构中心数量:2

  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, 25 ℃ ）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：50

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC 3mm ）：未确定

  7. 折射率：109

  8. 闪点（ºC）：110

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：不适用的

  11. 蒸气压（kPa,25ºC）：未确定

  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

(2R,5R)-2,5-Diphenylpyrrolidine Revision number: 5 SAFETY DATA SHEET Section1. IDENTIFICATION Product name:(2R,5R)-2,5-Diphenylpyrrolidine Revision number:5 Section2. HAZARDS IDENTIFICATION GHS classification PHYSICAL HAZARDSNot classified Not classified HEALTH HAZARDS ENVIRONMENTAL HAZARDS Category 1 Acute aquatic hazard Long-term aquatic hazardCategory 1 GHS label elements, including precautionary statements Pictograms or hazard symbols Signal wordWarning Hazard statements Very toxic to aquatic life Very toxic to aquatic life with long lasting effects Precautionary statements: [Prevention]Avoid release to the environment. Collect spillage. [Response] [Disposal]Dispose of contents/container through a waste management company authorized by the local government. Section3. COMPOSITION/INFORMATION ON INGREDIENTS Substance/mixture:Substance Components:(2R,5R)-2,5-Diphenylpyrrolidine Percent:>95.0%(GC) CAS Number:155155-73-0 Chemical Formula:C16H17N Section4. FIRST AID MEASURES Inhalation:Remove victim to fresh air and keep at rest in a position comfortable for breathing. Get medical advice/attention if you feel unwell. Skin contact:Remove/Take off immediately all contaminated clothing. Rinse skin with water/shower. If skin irritation or rash occurs: Get medical advice/attention. (2R,5R)-2,5-Diphenylpyrrolidine Section4. FIRST AID MEASURES Eye contact:Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. If eye irritation persists: Get medical advice/attention. Ingestion:Get medical advice/attention if you feel unwell. Rinse mouth. Protection of first-aiders:A rescuer should wear personal protective equipment, such as rubber gloves and air- tight goggles. Section5. FIRE-FIGHTING MEASURES Dry chemical, foam, water spray, carbon dioxide. Suitable extinguishing media: Specific hazards arising Take care as it may decompose upon combustion or in high temperatures to from the chemical:generate poisonous fume. Precautions for firefighters: Fire-extinguishing work is done from the windward and the suitable fire-extinguishing method according to the surrounding situation is used. Uninvolved persons should evacuate to a safe place. In case of fire in the surroundings: Remove movable containers if safe to do so. Special protectiveWhen extinguishing fire, be sure to wear personal protective equipment. equipment for firefighters: Section6. ACCIDENTAL RELEASE MEASURES Personal precautions,Use personal protective equipment. Keep people away from and upwind of spill/leak. protective equipment and Entry to non-involved personnel should be controlled around the leakage area by emergency procedures: roping off, etc. Environmental precautions: Be careful not to let it flow into rivers, etc., since adverse effects on the environment are concerned. Methods and materials for Sweep dust to collect it into an airtight container, taking care not to disperse it. containment and cleaning Adhered or collected material should be promptly disposed of, in accordance with up: appropriate laws and regulations. Section7. HANDLING AND STORAGE Precautions for safe handling Technical measures:Handling is performed in a well ventilated place. Wear suitable protective equipment. Prevent dispersion of dust. Wash hands and face thoroughly after handling. Use a local exhaust if dust or aerosol will be generated. Advice on safe handling: Avoid contact with skin, eyes and clothing. Conditions for safe storage, including any incompatibilities Storage conditions:Keep container tightly closed. Store in a cool and dark place. Store away from incompatible materials such as oxidizing agents. Packaging material:Comply with laws. Section8. EXPOSURE CONTROLS / PERSONAL PROTECTION Install a closed system or local exhaust as possible so that workers should not be Engineering controls: exposed directly. Also install safety shower and eye bath. Personal protective equipment Respiratory protection: Dust respirator. Follow local and national regulations. Protective gloves. Hand protection: Eye protection:Safety glasses. A face-shield, if the situation requires. Skin and body protection: Protective clothing. Protective boots, if the situation requires. Section9. PHYSICAL AND CHEMICAL PROPERTIES Physical state (20°C):Solid Form:Crystal- Powder White - Yellow Colour: Odour:No data available pH: No data available (2R,5R)-2,5-Diphenylpyrrolidine Section9. PHYSICAL AND CHEMICAL PROPERTIES Melting point/freezing point:50°C Boiling point/range:No data available Flash point:No data available Flammability or explosive limits: Lower:No data available Upper:No data available Relative density:No data available Solubility(ies): No data available [Water] [Other solvents] Soluble:Chloroform Section10. STABILITY AND REACTIVITY Chemical stability:Stable under proper conditions. Possibility of hazardous No special reactivity has been reported. reactions: Incompatible materials: Oxidizing agents Hazardous decomposition Carbon monoxide, Carbon dioxide, Nitrogen oxides (NOx) products: Section11. TOXICOLOGICAL INFORMATION Acute Toxicity:No data available Skin corrosion/irritation: No data available Serious eyeNo data available damage/irritation: Germ cell mutagenicity: No data available Carcinogenicity: No data available IARC = NTP =No data available Reproductive toxicity:No data available Section12. ECOLOGICAL INFORMATION Ecotoxicity: Fish:No data available Crustacea:No data available Algae:No data available Persistence / degradability: No data available BioaccumulativeNo data available potential(BCF): Mobility in soil Log Pow:No data available Soil adsorption (Koc):No data available Henry's LawNo data available constant(PaM3/mol): Section13. DISPOSAL CONSIDERATIONS Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all federal, state and local regulations when disposing of the substance. Section14. TRANSPORT INFORMATION Hazards Class:9: Miscellaneous dangerous goods. UN-No:3077 Proper shipping name:Environmentally hazardous substance, solid, n.o.s. Packing group:III (2R,5R)-2,5-Diphenylpyrrolidine Section14. TRANSPORT INFORMATION Marine pollutantY Section15. REGULATORY INFORMATION Safe management ordinance of dangerous chemical product (State Council announces on January 26, 2002 and revised on February 16,2011): Safe use and production, the storage of a dangerous chemical, transport, loading and unloading were prescribed. SECTION 16 - ADDITIONAL INFORMATION N/A

安全

• 危害码 (欧洲): Xn: Harmful;N: Dangerous for the environment;
• 风险声明 (欧洲): R40
• 安全声明 (欧洲): S23
• 危险品运输编码: UN 3077 9/PG 3
• 危险类别: 9.0
• 海关编码: 2933990090

合成路线

1001208-20-3 ~0% 155155-73-0 1119301-19-7

文献：Journal of the American Chemical Society, , vol. 131, p. 2348 - 2358

154777-23-8 ~% 155155-73-0

文献：Tetrahedron, , vol. 50, # 4 p. 1083 - 1092

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%