葫芦[6]脲,葫芦脲水合物,CAS:80262-44-8

货号：SH-NF-024

CAS号：80262-44-8

商品名称葫芦[6]脲

英文名称：cucurbit[6]uril

纯度：98%

分子式：C36H36N24O12

外观性状：白色粉末

葫芦脲 水合物名称

[ 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

 葫芦脲 水合物物理化学性质

[ 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

[ 折射率 ]:2.341

[ 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

 葫芦脲 水合物MSDS

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 

 葫芦脲 水合物安全信息

[ 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

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