草酸钐(III)

草酸钐(III) 基本信息
CAS号 14175-03-2 分子式 C2H2O4.10/3H2O.2/3Sm
分子量 750.97308 精确质量  753.93106
PSA  157.80000 LogP  -2.99580

等价的CAS号:

7100-78-9,10171-50-3,13077-35-5,14175-03-2

基本信息 展开↓

CAS号:
14175-03-2
3D弹球模型:
立即前往扯扯看
分子式:
C2H2O4.10/3H2O.2/3Sm
分子量:
750.97308
中文名称:
草酸钐(III)
英文名称:
Ethanedioic acid, samarium(3+) salt, hydrate (3:2:10)
中文别名:
草酸钐(III);
十水草酸钐
英文别名:
Ethanedioic acid, samarium(3+) salt, hydrate (3:2:10);
Ethanedioic acid, samarium(3+) salt (3:2), decahydrate (9CI);
Oxalic acid, samarium(3+) salt (3:2), decahydrate (8CI);
Samarium oxalate (Sm2(C2O4)3), decahydrate (7CI);
Samarium oxalate decahydrate
精确分子量/精确质量:
753.93106
极性分子表面积/PSA:
157.80000
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。
贝尔斯坦号/MDL:
MFCD00150489
EINECS:
221-844-8
InChI:
The Key: VRGPRJCLDAHABP-UHFFFAOYSA-L

生产制备方法及用途展开↓

合成制备方法


将0.3g Sm(NO3)3溶于200mL水中,加入2mL 6mol/L的硝酸,然后加入40mL溶有3g草酸甲酯的水溶液。充分混合后,回流3h,即析出草酸盐沉淀。室温放置过夜再进行过滤,依次用水、乙醇和乙醚洗涤,生成结晶在室温风干,得十水合物。

物化性质展开↓

沸点:
365.1ºC at 760 mmHg
闪点:
188.8ºC
蒸汽压:
2.51E-06mmHg at 25°C
存储条件/存储方法:

常温密闭避光,通风干燥

稳定性相关:

常温常压下稳定

避免的物料:氧化物 。微溶于水,25℃溶解度为0.054g。

其它信息:

1.       性状:白色晶体。

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:可溶解的

安全信息展开↓

包装等级:
III
风险类别:
6.1

毒理性展开↓

毒理学数据:

1、急性毒性:主要的刺激性影响:

在皮肤上面:刺激皮肤和粘膜;     

在眼睛上面:刺激的影响;没有已知的敏化影响。

生态数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Samarium (III) oxalate hydrate(99.9%-Sm) (REO)    
   CAS Registry Number:       14175-03-2    
   Formula:       Sm2(C2O4)3.XH2O    
   EINECS Number:       none    
   Chemical Family:       salt of an organic acid    
   Synonym:       samarium oxalate, Oxalic acid, samarium salt.    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       14175-03-2       100%       no data       no data    

Section 3: Hazards Identification
   Soluble oxalates are harmful if swallowed. They precipitate calcium from the bloodstream causing violent
   Emergency Overview:
   muscular stimulation, convulsions, collapse, and death.
   Primary Routes of Exposure:       Ingestion, Inhalation of dust.    
   Eye Contact:       May cause moderate to severe irritation of the eyes.    
   Skin Contact:       May cause moderate to severe irritation of the skin.    
   Inhalation:       Dust may be severely irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       Ingestion may cause vomiting, pain, violent muscular stimulation, convulsions, collapse, and death.    
   Soluble oxalates remove calcium from the bloodstream. This interferes with the central nervous system
   Acute Health Affects:
   causing violent convulsions and death.
   Prolonged exposure to oxalates can lead to kidney failure resulting from calcium oxalate precipitation in renal
   Chronic Health Affects:
   tubes
   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.
   Antidotes are said to be soluble calcium given orally, and calcium gluconate given intravenously, to be
   Ingestion:
   administered by trained medical personnel. 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 pwdr.    
   Molecular Weight:       564.76    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       not applicable    
   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:       none    
   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:无可用的

2、摩尔体积(cm3/mol):无可用的

3、等张比容(90.2K):无可用的

4、表面张力(dyne/cm):无可用的

5、介电常数:无可用的

6、极化率(10-24cm3):无可用的

7、单一同位素质量:567.778375 Da

8、标称质量:568 Da

9、平均质量:564.777 Da

计算化学数据


1、   疏水参数计算参考值(XlogP):0

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、   拓扑分子极性表面积(TPSA):241

6、   重原子数量:20

7、   表面电荷:0

8、   复杂度:60.5

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:5

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