钐(III)乙酰基丙酮酸水合物

钐(III)乙酰基丙酮酸水合物 基本信息
CAS号 14589-42-5 分子式 C15H21O6Sm
分子量 447.68827 精确质量  449.05356
PSA  102.42000 LogP  1.66350

基本信息 展开↓

CAS号:
14589-42-5
分子式:
C15H21O6Sm
分子量:
447.68827
中文名称:
钐(III)乙酰基丙酮酸水合物
英文名称:
Samarium, tris(2,4-pentanedionato-κO2,κO4)-, (OC-6-11)-
中文别名:
钐(III)乙酰基丙酮酸水合物;
水合乙酰丙酮钐;
水合乙酰丙酮钐(III)
英文别名:
Samarium, tris(2,4-pentanedionato-κO2,κO4)-, (OC-6-11)-;
Samarium, tris(2,4-pentanedionato)- (6CI,7CI,8CI);
Samarium, tris(2,4-pentanedionato-O,O')-, (OC-6-11)-;
Samarium, tris(2,4-pentanedionato-κO,κO')-, (OC-6-11)- (9CI);
(OC-6-11)-Tris(2,4-pentanedionato-κO2,κO4)samarium;
NSC 139609;
Samarium acetylacetonate;
Samarium(III) acetylacetonate;
Tris(2,4-pentanedionato)samarium;
Tris(acetylacetonato)samarium;
samarium tris(acetylacetonate)
精确分子量/精确质量:
449.05356
极性分子表面积/PSA:
102.42000
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:
238-632-6

生产制备方法及用途展开↓

合成制备方法


1.将1.391g异丙醇钐溶于42.5g苯中,在此溶液中加入1.282g新蒸馏过的乙酰丙酮。二种反应物混合后,放热,并慢慢生成黄色化合物。保持反应混合物在110~115℃稳定回流4h。然后将苯和异丙醇以二元恒沸混合物的形式蒸出,蒸馏液在80℃恒定。然后在减压条件下(40℃/66661Pa压力)将挥发性组分蒸出,最后得到微溶于苯的产物1.43g。

2.称取5.68g氧化钐,保持溶液的pH值为6.5。最后收率为96%。

物化性质展开↓

外观与性状:
白色至灰白色粉末
熔点:
146-147ºC
沸点:
187.6ºC at 760 mmHg
闪点:
71.9ºC
蒸汽压:
6.75mmHg 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。不溶于水,但可吸收空气中的水形成水合物,微溶于苯。与有机碱作用可形成加合物。

其它信息:

1.       性状:白色无定形粉末。

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):146

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:
R20/21/22
安全说明:
26-36
危险标志:
Xn: Harmful;

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:       Samarium (III) acetylacetonatehydrate (99.9%-Sm) (REO)    
   CAS Registry Number:       14589-42-5    
   Formula:       Sm(CH3COCHCOCH3)3.XH2O    
   EINECS Number:       none    
   Chemical Family:       metal beta-diketonate complexes    
   Synonym:       Tris(2,4-pentanedionato)samarium (III) hydrate    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       14589-42-5       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Ingestion, Inhalation of dust.    
   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 soap and water. Remove contaminated clothes if necessary. Seek medical
   Skin Exposure:
   assistance if 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.
   Ingestion:       Seek medical attention immediately. Keep the victim calm. Give the victim water (only if conscious).    

SECTION 5: Fire Fighting Measures
   Flash Point:       not applicable    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, dry powder or foam    
   If involved in a fire, fire fighters should be equipped with a NIOSH approved positive pressure self-contained
   Special Fire Fighting Procedures:
   breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may emit toxic organic 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 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 in form of fine dust and ventilation is not available a respirator should be worn. The use of respirators
   Respirator:
   requires a 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:       white to off-white powder    
   Molecular Weight:       447.69    
   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 solid    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       active metals    
   Decomposition Products:       Carbon dioxide, carbon monoxide, organic vapors, and metal oxides and carbonates.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   Carcinogenic Effects:       No data available    
   Mutagenic Effects:       No data available    
   Tetratogenic Effects:       No data available    

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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