62965-56-4

• 常用中文名：(S)-(-)-4-叔丁基氧氮杂环戊烷-2,5-二酮
• 常用英文名：(S)-(-)-4-tert-Butyloxazolidine-2,5-dione
• CAS号：62965-56-4
• 分子式：C₇H₁₁NO₃
• 分子量：157.167
• 发布时间：2018-12-10 11:49:21
• 更新时间：2024-01-20 14:29:11

名称

• 中文名: (S)-(-)-4-叔丁基氧氮杂环戊烷-2,5-二酮
• 英文名: (S)-(-)-4-tert-Butyloxazolidine-2,5-dione
• 中文别名: (S)-4-特丁基噁唑啉-2,5-二酮; N-Boc-L-叔亮氨酸; 4-叔丁基氧氮杂环戊烷-2,5-二酮
• 英文别名: 4-tert-butyl-1,3-oxazolidine-2,5-dione; (4S)-4-(2-Methyl-2-propanyl)-1,3-oxazolidine-2,5-dione; (4S)-4-tert-Butyl-1,3-oxazolidine-2,5-dione; MFCD05664067; 2,5-Oxazolidinedione, 4-(1,1-dimethylethyl)-, (4S)-

物化性质

• 密度: 1.2±0.1 g/cm3
• 熔点: 132ºC
• 分子式: C₇H₁₁NO₃
• 分子量: 157.167
• 精确质量: 157.073898
• PSA: 55.40000
• LogP: 0.83
• 折射率: 1.464
• 储存条件:

  存放在密封容器内，并放在阴凉，干燥处。储存的地方必须远离氧化剂。

• 稳定性:

  远离氧化物，避免湿气。

• 分子结构:

  1、 摩尔折射率：37.24

  2、 摩尔体积（m³/mol）：135.0

  3、 等张比容（90.2K）：333.9

  4、 表面张力（dyne/cm）：37.3

  5、 极化率（10^-24cm³）：14.76

• 计算化学:

  1、 疏水参数计算参考值（XlogP）：

  2、 氢键供体数量：

  3、 氢键受体数量：

  4、 可旋转化学键数量：

  5、 拓扑分子极性表面积（TPSA）：

  6、 重原子数量：

  7、 表面电荷：

  8、 复杂度：

  9、 同位素原子数量：0

  10、 确定原子立构中心数量：0

  11、 不确定原子立构中心数量：0

  12、 确定化学键立构中心数量：0

  13、 不确定化学键立构中心数量：0

  14、 共价键单元数量：1

• 更多:

  1. 性状：固体。

  2. 密度（g/mL,25/4℃）：未确定

  3. 相对蒸汽密度（g/mL,空气=1）：未确定

  4. 熔点（ºC）：132

  5. 沸点（ºC,常压）：未确定

  6. 沸点（ºC,5.2kPa）：未确定

  7. 折射率：未确定

  8. 闪点（ºC）：未确定

  9. 比旋光度（º）：未确定

  10. 自燃点或引燃温度（ºC）：未确定

  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

Name: L-tert-Leucine-N-Carboxyanhydride Material Safety Data Sheet Synonym: (S)-4-(1,1-Dimethylethyl)-2,5-Oxazolidinedione CAS: 62965-56-4 Section 1 - Chemical Product MSDS Name:L-tert-Leucine-N-Carboxyanhydride Material Safety Data Sheet Synonym:(S)-4-(1,1-Dimethylethyl)-2,5-Oxazolidinedione Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS CAS# Chemical Name content EINECS# 62965-56-4 L-tert-Leucine-N-Carboxyanhydride ca. 100 unlisted Hazard Symbols: XN Risk Phrases: 22 36 Section 3 - HAZARDS IDENTIFICATION EMERGENCY OVERVIEW Harmful if swallowed. Irritating to eyes.The toxicological properties of this material have not been fully investigated. Potential Health Effects Eye: Causes eye irritation. Skin: May cause skin irritation. May be harmful if absorbed through the skin. Ingestion: Harmful if swallowed. May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated. Inhalation: May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled. Chronic: No information found. Section 4 - FIRST AID MEASURES Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. Skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse. Ingestion: Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water. Inhalation: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Notes to Physician: Section 5 - FIRE FIGHTING MEASURES General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Extinguishing Media: Use water spray, dry chemical, carbon dioxide, or chemical foam. Section 6 - ACCIDENTAL RELEASE MEASURES General Information: Use proper personal protective equipment as indicated in Section 8. Spills/Leaks: Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation. Vacuum or sweep up material and place into a suitable, dry disposal container. Section 7 - HANDLING and STORAGE Handling: Wash thoroughly after handling. Use with adequate ventilation. Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Storage: Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION Engineering Controls: Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low. Exposure Limits CAS# 62965-56-4: Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166. Skin: Wear appropriate protective gloves to prevent skin exposure. Clothing: Wear appropriate protective clothing to prevent skin exposure. Respirators: A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use. Section 9 - PHYSICAL AND CHEMICAL PROPERTIES Physical State: Solid Color: white Odor: sweetish odor pH: Not available. Vapor Pressure: Not available. Viscosity: Not available. Boiling Point: Not available. Freezing/Melting Point: 180 deg C Autoignition Temperature: Not available. Flash Point: Not available. Explosion Limits, lower: Not available. Explosion Limits, upper: Not available. Decomposition Temperature: Solubility in water: Slightly soluble. Specific Gravity/Density: Molecular Formula: C7H11NO3 Molecular Weight: 157.17 Section 10 - STABILITY AND REACTIVITY Chemical Stability: Not currently available. Conditions to Avoid: Dust generation. Incompatibilities with Other Materials: Oxidizing agents. Hazardous Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide. Hazardous Polymerization: Will not occur. Section 11 - TOXICOLOGICAL INFORMATION RTECS#: CAS# 62965-56-4 unlisted. LD50/LC50: Not available. Carcinogenicity: L-tert-Leucine-N-Carboxyanhydride - Not listed by ACGIH, IARC, or NTP. Section 12 - ECOLOGICAL INFORMATION Ecotoxicity: Daphnia: Daphnia: EC50:>100mg/L; 24H-48H Section 13 - DISPOSAL CONSIDERATIONS Dispose of in a manner consistent with federal, state, and local regulations. Section 14 - TRANSPORT INFORMATION IATA Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: IMO Shipping Name: Not regulated. Hazard Class: UN Number: Packing Group: RID/ADR Shipping Name: Not regulated. Hazard Class: UN Number: Packing group: Section 15 - REGULATORY INFORMATION European/International Regulations European Labeling in Accordance with EC Directives Hazard Symbols: XN Risk Phrases: R 22 Harmful if swallowed. R 36 Irritating to eyes. Safety Phrases: S 26 In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 39 Wear eye/face protection. WGK (Water Danger/Protection) CAS# 62965-56-4: No information available. Canada None of the chemicals in this product are listed on the DSL/NDSL list. CAS# 62965-56-4 is not listed on Canada's Ingredient Disclosure List. US FEDERAL TSCA CAS# 62965-56-4 is not listed on the TSCA inventory. It is for research and development use only. SECTION 16 - ADDITIONAL INFORMATION N/A

毒性和生态

生态学数据: 对水稍微有危害的，不要让未稀释或者大量产品接触地下水，水道或者污水系统。若无政府许可，勿将材料排入周围环境。

安全

• 安全声明 (欧洲): S22-S24/25
• 海关编码: 2934999090

合成路线

75-44-5 20859-02-3 ~% 62965-56-4

文献：Synthesis, , # 10 p. 861 - 864

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海关

海关编码	2934999090
中文概述	2934999090. 其他杂环化合物. 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
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%