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| 中文名 | 葫芦脲 水合物 |
|---|---|
| 英文名 | cucurbit[6]uril |
| 中文别名 |
葫芦脲
葫芦[6]脲十二水合物 |
| 英文别名 |
MFCD05664716
Cucurbituril[6] Curcubit[6]uril CUCURBITURIL inverted cucurbituril CB[6] Cucurbit[6]uril hydrate cucurbit[6]urit 1H,4H,14H,17H-2,16:3,15-Dimethano-5H,6H,7H,8H,9H,10H,11H,12H,13H,18H,19H,20H,21H,22H,23H,24H,25H,26H-2,3,4a,5a,6a,7a,8a,9a,10a,11a,12a,13a,15,16,17a,18a,19a,20a,21a,22a,23a,24a,25a,26a-tetracosaazabispentaleno1,6:5,6,7cycloocta1,2,3:3,4pentaleno1,6:5,6,7c |
| 密度 | 2.66g/cm3 |
|---|---|
| 熔点 | -470ºC |
| 分子式 | C36H36N24O12 |
| 分子量 | 996.82500 |
| 精确质量 | 996.29400 |
| PSA | 282.60000 |
| 外观性状 | solid | white |
| 折射率 | 2.341 |
| 储存条件 | 室温 |
| 计算化学 | 1、 疏水参数计算参考值（XlogP）：-6.8 2、 氢键供体数量：0 3、 氢键受体数量：12 4、 可旋转化学键数量：0 5、 互变异构体数量： 6、 拓扑分子极性表面积（TPSA）：283 7、 重原子数量：72 8、 表面电荷：0 9、 复杂度： 2140 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：液体 2. 密度（g/mL20 ºC）：未确定 3. 相对蒸汽密度（g/mL,空气=1）：未确定 4. 熔点（ºC）：～470 5. 沸点（ºC,常压）：未确定 6. 沸点（ºC2mmHg）未确定 7. 折射率：未确定 8. 闪点（º F）：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,）：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 |
|
Section 1: Product Identification Chemical Name:Cucurbit[6]uril (CB[6]) hydrate, 99+% CAS Registry Number:80262-44-8 Formula:C36H36N24O12.xH2O EINECS Number:none Chemical Family:macrocyclic compounds Synonym:CB[6]
Section 2: Composition and Information on Ingredients IngredientCAS NumberPercentACGIH (TWA)OSHA (PEL) Title compound80262-44-8100%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:996.82 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:strong oxidizing agents Decomposition Products:carbon monoxide, carbon dioxide, nitrogen oxides, and organic fumes SECTION 11: Toxicological Information RTECS Data:No information available in the RTECS files. 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:Not listed in the TSCA inventory SARA (Title 313):Not regulated under SARA 313 Second Ingredient:none SECTION 16 - ADDITIONAL INFORMATION N/A |
| 个人防护装备 | Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter |
|---|---|
| 危险品运输编码 | NONH for all modes of transport |
| WGK德国 | 3 |
|
~21%
80262-44-8 |
| 文献：Tuncel, Doenues; Steinke, Joachim H. G. Macromolecules, 2004 , vol. 37, # 2 p. 288 - 302 |
|
~%
80262-44-8 |
| 文献：US2013/195751 A1, ; Page/Page column ; |
|
~%
80262-44-8 |
| 文献：Angewandte Chemie - International Edition, , vol. 46, # 34 p. 6499 - 6501 |
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| 下游产品 0 | |
