四(2,2,6,6-四甲基-3,5-庚二酮酸)铈(IV)

  • 基本信息
  • 物化性质
  • 安全信息
  • MSDS
  • 结构与计算化学

四(2,2,6,6-四甲基-3,5-庚二酮酸)铈(IV) 基本信息

中文名称:
四(2,2,6,6-四甲基-3,5-庚二酮酸)铈(IV) 
中文别名:
四(2,2,6,6-四甲基-3,5-庚二酮酸)铈(IV);
四(2,2,6,6-甲基-3,5-庚二酮酸)铈(IV) 
英文名称:
Cerium,tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato-kO3,kO5)-, (SA-8-11''11''1'1'''1'1''')-
英文别名:
cerium,2,2,6,6-tetramethylheptane-3,5-dione;
TETRAKIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)CERIUM (IV);
CE(TMHD)4;
CERIUM IV 2,2,6,6-TETRAMETHYLHEPTANEDIONATE;
Ceriumtetramethylheptanedionate;
Ce(C11H19O2)4;
Cerium-thd99.9%;
Tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato)cerium(IV),min.97%(99.9%-Ce)(REO)[Ce(TMHD)4];
TETRAKIS(2,2,6,6-TETRAMETHYL-3,5-HEPTANEDIONATO)CERIUM(IV) [CE(TMHD)4] 
CAS No.:
18960-54-8
分 子 式:
C44H76CeO8
分 子 量:
506.65
精确分子量:
506.18200
PSA:
52.60000
风险术语:
R36/37/38
安全术语:
S26S36/S37/S39
分子结构式:
SDS:
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四(2,2,6,6-四甲基-3,5-庚二酮酸)铈(IV) 物化性质

熔点:
275-280ºC
沸点:
140ºC 0,05mm
闪点:
67.2ºC
蒸汽压:
0.287mmHg at 25°C
其它信息:

1.       性状:不确定

2.       密度(g/mL,25/4):不确定

3.       相对蒸汽密度(g/mL,空气=1):不确定

4.       熔点(ºC):275-280

5.       沸点(ºC,常压):不确定

6.       沸点(ºC, 0.05mmHg):140

7.       折射率:不确定

8.       闪点(ºC):不确定

9.       比旋光度(º):不确定

10.    自燃点或引燃温度(ºC):不确定

11.    蒸气压(kPa,25ºC):不确定

12.    饱和蒸气压(kPa,60ºC):不确定

13.    燃烧热(KJ/mol):不确定

14.    临界温度(ºC):不确定

15.    临界压力(KPa):不确定

16.    油水(辛醇/水)分配系数的对数值:不确定

17.    爆炸上限(%,V/V):不确定

18.    爆炸下限(%,V/V):不确定

19.    溶解性:不确定

四(2,2,6,6-四甲基-3,5-庚二酮酸)铈(IV) 安全信息

危险类别码:
36/37/38
安全说明:
26-36/37/39
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。
:

四(2,2,6,6-四甲基-3,5-庚二酮酸)铈(IV) MSDS


Section 1: Product Identification
   Chemical Name:       Tetrakis(2,2,6,6-tetramethyl-3,5-heptanedionato)cerium (IV),min. 97% (99.9%-Ce) (REO) Ce(TMHD)4    
   CAS Registry Number:       18960-54-8    
   Formula:       Ce(C11H19O2)4    
   EINECS Number:       none    
   Chemical Family:       metal beta-diketonate complexes    
   Synonym:       Dipivaloylmethane, cerium complex    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       18960-54-8       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       May be irritating to eyes, skin and respiratory tract. Harmful if swallowed.    
   Primary Routes of Exposure:       Ingestion    
   Eye Contact:       May cause slight to mild irritation of the eyes.    
   Skin Contact:       May cause slight to mild irritation of the skin.    
   Inhalation:       May be irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information on the physiological effects of ingestion.    
   Acute Health Affects:       May be 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:       not applicable    
   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:       red powder    
   Molecular Weight:       873.2    
   Melting Point:       275-280°    
   Boiling Point:       dec.295°subl. 140°/.05mm    
   Vapor Pressure:       subl. 140°/0.05mm    
   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

四(2,2,6,6-四甲基-3,5-庚二酮酸)铈(IV) 分子结构与计算化学数据

计算化学数据

1.疏水参数计算参考值(XlogP):无

2.氢键供体数量:0

3.氢键受体数量:8

4.可旋转化学键数量:8

5.互变异构体数量:5

6.拓扑分子极性表面积137

7.重原子数量:53

8.表面电荷:0

9.复杂度:964

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:5

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