双(2,2,6,6-四甲基-3,5-庚二酮)镍

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

双(2,2,6,6-四甲基-3,5-庚二酮)镍 基本信息

中文名称:
双(2,2,6,6-四甲基-3,5-庚二酮)镍 
中文别名:
双(2,2,6,6-四甲基-3,5-庚二酮)镍;
双(2,2,6,6 -甲基- 3 ,5 - 庚二酮酸)镍(Ⅱ)(99.9%镍)[镍(TMHD)2] 
英文名称:
Nickel,bis(2,2,6,6-tetramethyl-3,5-heptanedionato-kO3,kO5)-, (SP-4-1)-
英文别名:
NICKEL TMHD;
NickeltetramethylheptanedionateNickelTMHD;
BistetramethylheptanedionatonickelIIImin 
CAS No.:
41749-92-2
分 子 式:
C22H38NiO4
分 子 量:
425.23
精确分子量:
426.22800
PSA:
68.28000
风险术语:
R45R20/21/22
安全术语:
S36/S37
分子结构式:
SDS:
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双(2,2,6,6-四甲基-3,5-庚二酮)镍 物化性质

熔点:
219-223ºC(lit.)
沸点:
90-110ºC 0,1mm
闪点:
67.2ºC

双(2,2,6,6-四甲基-3,5-庚二酮)镍 安全信息

危险类别码:
R45
安全说明:
53-36/37-45
安全标志:
:
危险标志:
T: Toxic;

双(2,2,6,6-四甲基-3,5-庚二酮)镍 MSDS


Section 1: Product Identification
   Chemical Name:       Bis(2,2,6,6-tetramethyl-3,5-heptanedionato)nickel (II), min. 98% (99.9%-Ni) [Ni(TMHD)2]    
   CAS Registry Number:       41749-92-2    
   Formula:       Ni(C11H19O2)2    
   EINECS Number:       none    
   Chemical Family:       metal beta-diketonate complexes    
   Synonym:       Dipivaloylmethane, nickel complex    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       41749-92-2       100%       0.2mg/m3       1mg/m3    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and mucous membranes. May cause sensitization by skin contact. May cause cancer.    
   Primary Routes of Exposure:       Ingestion, Inhalation of dust.    
   Eye Contact:       May cause slight to mild irritation of the eyes.    
   Skin Contact:       May cause slight to mild irritation of the skin. Prolonged contact with nickel salts may lead to dermatitis.    
   Inhalation:       Dust may be irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       Ingestion may lead to dizziness, abdominal cramps, vomiting, bloody diarrhea, weakness, and convulsions.    
   Acute Health Affects:       May be irritating to skin, eyes and respiratory tract. May cause sensitization by skin contact.    
   Long term exposure to nickel and nickel compounds may lead to skin irritation and dermatitis. May cause
   Chronic Health Affects:
   cancer.
   NTP:       Yes    
   IARC:       Yes    
   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
   Store in a tightly sealed container in a dry place. If container is left open, salt may adsorb moisture from the
   Handling and Storage:
   atmosphere.

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:       purple xtl.    
   Molecular Weight:       425.23    
   Melting Point:       223-225°    
   Boiling Point:       subl. 90°-110°C /0.1mm    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       Insoluble    

SECTION 10: Stability and Reactivity
   Stability:       hygroscopic solid    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       Oxidizing agents    
   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:       Carcinogen (as Ni)    
   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: See Category Code N495 for reporting    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

双(2,2,6,6-四甲基-3,5-庚二酮)镍 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:4

4.可旋转化学键数量:4

5.互变异构体数量:3

6.拓扑分子极性表面积68.3

7.重原子数量:27

8.表面电荷:0

9.复杂度:435

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:3

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