乙酰丙酮铈(III)水合物

乙酰丙酮铈(III)水合物 基本信息
CAS号 15653-01-7 分子式 C15H21CeO6
分子量 437.44000 精确质量  437.03900
PSA  78.90000 LogP  2.88030

基本信息 展开↓

CAS号:
15653-01-7
3D弹球模型:
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分子式:
C15H21CeO6
分子量:
437.44000
中文名称:
乙酰丙酮铈(III)水合物
英文名称:
Cerium Acetyl Acetonate
中文别名:
乙酰丙酮铈(III)水合物;
乙酰丙酮铈水合物;
乙酰丙酮铈;
乙酰基丙酮铈
英文别名:
Cerium Acetyl Acetonate;
cerium(3+),(Z)-4-oxopent-2-en-2-olate
精确分子量/精确质量:
437.03900
极性分子表面积/PSA:
78.90000
油水分配系数/LogP:

LogP值指的是某物质在正辛醇/水两相体系中的分配系数的对数值,反映了物质在油水两相中的分配情况。其中、LogP值越大,说明该物质越亲油;反之,LogP值越小,则说明该物质越亲水。
EINECS:
239-720-7
InChI:
The Key: BQBNOCAXJYTQKQ-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


称取10.8g(0.0249mol)六水合硝酸铈(Ⅲ),用26mL 2.8mol/L硝酸溶解,在搅拌下加入用36mL 2.0mol/L氨水溶解12.7mL(0.124mol)新蒸过的乙酰丙酮的溶液。向混合物中滴加0.2mol/L氨水,当pH值上升到6.0时,乙酰丙酮铈(Ⅲ)的水合物沉淀析出。沉淀过滤后用25mL水洗3次,室温干燥。

合成制备方法


称取10.8g(0.0249mol)六水合硝酸铈(Ⅲ),用26mL 2.8mol/L硝酸溶解,在搅拌下加入用36mL 2.0mol/L氨水溶解12.7mL(0.124mol)新蒸过的乙酰丙酮的溶液。向混合物中滴加0.2mol/L氨水,当pH值上升到6.0时,乙酰丙酮铈(Ⅲ)的水合物沉淀析出。沉淀过滤后用25mL水洗3次,室温干燥。

用途简介


物化性质展开↓

熔点:
131-132ºC
沸点:
187.6ºC at 760 mmHg
闪点:
71.9ºC
蒸汽压:
0.174mmHg at 25°C
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

 遵照规定使用和储存则不会分解。极易溶于乙醇。遇水则分解,生成Ce(OH)3。

其它信息:

1.      性状:亮黄色晶体

2.      密度(g/mL,25/4℃):无可用

3.      相对蒸汽密度(g/mL,空气=1):无可用

4.      熔点(ºC):148~150

5.      沸点(ºC,常压):无可用

6.      沸点(ºC,5.2kPa):无可用

7.      折射率:无可用

8.      闪点(ºC):无可用

9.      比旋光度(º):无可用

10.   自燃点或引燃温度(ºC):无可用

11.   蒸气压(kPa,25ºC):无可用

12.   饱和蒸气压(kPa,60ºC):无可用

13.   燃烧热(KJ/mol):无可用

14.   临界温度(ºC):无可用

15.   临界压力(KPa):无可用

16.   油水(辛醇/水)分配系数的对数值:无可用

17.   爆炸上限(%,V/V):无可用

18.   爆炸下限(%,V/V):无可用

19.   溶解性:无可用

安全信息展开↓

危险类别码:
R36/37/38
安全说明:
26-36
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S36:穿戴合适的防护服装。

毒理性展开↓

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Cerium (III) acetylacetonate,hydrate (99.9%-Ce) (REO)    
   CAS Registry Number:       15653-01-7    
   Formula:       CeCH3COCHCOCH3)3.XH2O    
   EINECS Number:       239-720-7    
   Chemical Family:       metal beta-diketonate complexes    
   Synonym:       tris(pentane-2,4-dionato-O,O')cerium    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       15653-01-7       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Ingestion    
   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 on the physiological effects of ingestion.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information available 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 in
   Inhalation:
   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:       no data    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide or dry powder    
   If this product is involved in a fire, firefighters should be equipped with NIOSH approved positive pressure
   Special Fire Fighting Procedures:
   self-contained breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic and corrosive fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazard.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small spills can be mixed with powdered sodium carbonate or ground limestone and swept up.    

SECTION 7: Handling and Storage
   Handling and Storage:       Store the material in a sealed container. Keep away from heat and moisture.    

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 appropriate chemical resistant gloves and protective clothing.    
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respiratory
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       Material may form a fine dust. If possible, handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       tan powder    
   Molecular Weight:       437.44    
   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    
   Decomposition Products:       carbon monoxide, carbon dioxide, cerium oxide and organic fumes    

SECTION 11: Toxicological Information
   RTECS Data:       No specific information available on this product.    
   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):       Title compound not listed.    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

分子结构与计算化学数据展开↓

分子结构数据


1、摩尔折射率:无可用

2、  摩尔体积(cm3/mol):无可用       

3、  等张比容(90.2K):无可用

4、  表面张力(dyne/cm):无可用

5、  极化率:无可用

计算化学数据


1、  疏水参数计算参考值(XlogP):无可用

2、  氢键供体数量:0

3、  氢键受体数量:6

4、  可旋转化学键数量:3

5、  拓扑分子极性表面积(TPSA):120

6、  重原子数量:22

7、  表面电荷:0

8、  复杂度:90.4

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:3

13、  不确定化学键立构中心数量:0

14、  共价键单元数量:4

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