259886-49-2

• 常用中文名：葫芦[5]脲
• 常用英文名：CUCURBIT(5)URIL
• CAS号：259886-49-2
• 分子式：C₃₀H₃₀N₂₀O₁₀
• 分子量：830.68700
• 发布时间：2018-05-03 08:00:00
• 更新时间：2024-01-09 18:52:55

名称

• 中文名: 葫芦[5]脲
• 英文名: cucurbit[5]uril
• 英文别名: cucurbit(5)uril free base; MFCD03456499; cucurbit[5]uril (cb[5]) ammonium sulfate hydrate

物化性质

• 分子式: C₃₀H₃₀N₂₀O₁₀
• 分子量: 830.68700
• 精确质量: 830.24500
• PSA: 235.50000
• 储存条件:

  存放在密封容器内，并放在阴凉，干燥处。

• 稳定性:

  指定条件下稳定，远离氧化物。

• 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）：未确定

  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

Section 1: Product Identification Chemical Name:Cucurbit[5]uril (CB[5]) ammonium sulfate hydrate, 99+% CAS Registry Number:259886-49-2 Formula:C30H30N20O10.(NH4)2SO4.xH2O EINECS Number:none Chemical Family:macrocyclic compounds Synonym:CB[5] Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound259886-49-287%no datano data Ammonium sulfate7783-20-213%no datano data Section 3: Hazards Identification Emergency Overview:Irritating to skin, eyes and respiratory tract. Primary Routes of Exposure:Ingestion, inhalation, eyes Eye Contact:Causes slight to mild irritation of the eyes. Skin Contact:Causes slight to mild irritation of the skin. Inhalation:Irritating to the nose, mucous membranes and respiratory tract. Ingestion:No information available on the physiological effects of ingestion. May be harmful if swallowed. Acute Health Affects:Irritating to skin, eyes and respiratory tract. Chronic Health Affects:No information on long-term chronic effects. NTP:No IARC:No OSHA:No SECTION 4: First Aid Measures Immediately flush the eyes with copious amounts of water for at least 10-15 minutes. A victim may need Eye Exposure: assistance in keeping their eye lids open. Get immediate medical attention. Wash the affected area with water. Remove contaminated clothes if necessary. Seek medical assistance if Skin Exposure: irritation persists. Remove the victim to fresh air. Closely monitor the victim for signs of respiratory problems, such as difficulty Inhalation: in breathing, coughing, wheezing, or pain. In such cases seek immediate medical assistance. Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious). Induce Ingestion: vomiting only if directed by medical personnel. SECTION 5: Fire Fighting Measures Flash Point:none Autoignition Temperature:none Explosion Limits:none Extinguishing Medium:carbon dioxide, dry powder or foam If this product is involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure Special Fire Fighting Procedures: self-contained breathing apparatus and full protective clothing. Hazardous Combustion andIf involved in a fire this material may emit irritating fumes. Decomposion Products: Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards. SECTION 6: Accidental Release Measures Spill and Leak Procedures:Small spills can be mixed with vermiculite or sodium carbonate and swept up. SECTION 7: Handling and Storage Handling and Storage:Store in a tightly sealed container. Keep in a cool, dry, well-ventilated area. SECTION 8: Exposure Controls and Personal Protection Eye Protection:Always wear approved safety glasses when handling a chemical substance in the laboratory. Skin Protection:Wear protective clothing and gloves. Ventilation:Handle the material in an efficient fume hood. If ventilation is not available a respirator should be worn. The use of respirators requires a Respirator Respirator: Protection Program to be in compliance with 29 CFR 1910.134. Ventilation:Handle the material in an efficient fume hood. Additional Protection:No additional protection required. SECTION 9: Physical and Chemical Properties Color and Form:white powder Molecular Weight:962.83 Melting Point:no data Boiling Point:no data Vapor Pressure:no data Specific Gravity:no data Odor:none Solubility in Water:insoluble SECTION 10: Stability and Reactivity Stability:air and moisture stable Hazardous Polymerization:no hazardous polymerization Conditions to Avoid:none Incompatibility:oxidizing agents, active metals, strong bases Decomposition Products:carbon monoxide, carbon dioxide and organic fumes. SECTION 11: Toxicological Information Title compound: No information available in the RTECS files. Ammonium sulfate: Oral (man); TDLo: 1500 RTECS Data:mg/kg. Oral (rat); LD50: 2840 mg/kg. Oral (mouse); LD50: 640 mg/kg. Intraperitoneal (mouse); LD50: 610 mg/kg. Oral (mammal-domestic); LDLo: 3500 mg/kg. Carcinogenic Effects:no data Mutagenic Effects:no data Tetratogenic Effects:no data SECTION 12: Ecological Information Ecological Information:No information available SECTION 13: Disposal Considerations Disposal:Dispose of according to local, state and federal regulations. SECTION 14: Transportation Shipping Name (CFR):Non-hazardous Hazard Class (CFR):NA Additional Hazard Class (CFR):NA Packaging Group (CFR):NA UN ID Number (CFR):NA Shipping Name (IATA):Non-hazardous Hazard Class (IATA):NA Additional Hazard Class (IATA):NA Packaging Group (IATA):NA UN ID Number (IATA):NA SECTION 15: Regulatory Information TSCA:Title compound: Not listed in the TSCA inventory. SARA (Title 313):Not regulated under SARA 313 Second Ingredient:Listed in the TSCA inventory. Not regulated under SARA 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。