钕 6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛烷二酮铱

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

钕 6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛烷二酮铱 基本信息

中文名称:
钕 6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛烷二酮铱 
中文别名:
钕 6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛烷二酮铱;
三(6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛二酮)钕(III) 
英文名称:
Neodymium 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate
英文别名:
Neodymium tris(hepta-fluorodimethyloctanedione);
NEODYMIUM FOD;
NEODYMIUM 6,6,7,7,8,8,8-HEPTAFLUORO-2,2-DIMETHYL-3,5-OCTANEDIONATE 
CAS No.:
17978-76-6
分 子 式:
C30H30F21NdO6
分 子 量:
1029.76
精确分子量:
1030.10000
PSA:
102.42000
EINECS:
241-901-0
风险术语:
R36/37/38
安全术语:
S26S36
分子结构式:
SDS:
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钕 6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛烷二酮铱 物化性质

熔点:
206-208ºC
沸点:
172.7ºC at 760mmHg
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):206-208

5.       沸点ºC,常压):不确定

6.       沸点(ºC, 5.2kPa):不确定

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

钕 6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛烷二酮铱 安全信息

危险类别码:
R36/37/38
安全说明:
S26-S36
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。

钕 6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛烷二酮铱 MSDS


Section 1: Product Identification
   Tris(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate)neodymium (III), 99% (99.9%-Nd) (REO)
   Chemical Name:
   Nd(FOD)3
   CAS Registry Number:       17978-76-6    
   Formula:       Nd(C3F7COCHCOC4H9)3    
   EINECS Number:       none    
   Chemical Family:       metal fluorobeta-diketonate complexes    
   Synonym:       Tris(FOD)neodymium (III)    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       17978-76-6       100%       2.5mg/m3 (as F)       2.5mg/m3 (as F)    

Section 3: Hazards Identification
   Emergency Overview:       No particular hazard associated with this material.    
   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:       Ingestion may lead to vomiting, exhaustion, anemia, convulsions and coma.    
   Acute Health Affects:       May be irritating to skin, eyes and respiratory tract.    
   Product contains fluorine which, under certain conditions of use, decomposition or metabolism, may generate
   Chronic Health Affects:       fluoride ion causing nausea, vomiting, labored breathing, hypocalcaemia, deterioration of bone and tooth    
   structure, kidney and liver damage.
   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, foam or dry powder    
   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 and       If 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.    

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 clothes and gloves. Consult glove manufacturer to determine the proper type of glove.    
   Ventilation:       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 Respirator
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       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:       blue-pink solid    
   Molecular Weight:       1029.77    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       130C (.01mm)    
   Specific Gravity:       no data    
   Odor:       None    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture-stable solid    
   Hazardous Polymerization:       none    
   Conditions to Avoid:       contact with strong oxidizing agents    
   Incompatibility:       oxidizing agents, active metals    
   Decomposition Products:       carbon dioxide, carbon monoxide, organic fumes, fluorinated organic fumes and neodymium oxide    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in RTECS.    
   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):       Not reportable under SARA Title 313    
   Second Ingredient:       None    


SECTION 16 - ADDITIONAL INFORMATION
N/A

钕 6,6,7,7,8,8,8-七氟-2,2-二甲基-3,5-辛烷二酮铱 分子结构与计算化学数据

计算化学数据

1、   氢键供体数量:6

2、   氢键受体数量:21

3、   可旋转化学键数量:9

4、   拓扑分子极性表面积(TPSA):6

5、   重原子数量:58

6、   表面电荷:6

7、   复杂度:1310

8、   同位素原子数量:0

9、   确定原子立构中心数量:0

10、   不确定原子立构中心数量:0

11、   确定化学键立构中心数量:0

12、   不确定化学键立构中心数量:0

13、   共价键单元数量:4

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