丁二酮肟镍

丁二酮肟镍 基本信息
CAS号 13478-93-8 分子式 C8H14N4NiO4
分子量 288.91500 精确质量  288.03700
PSA  108.36000 LogP  1.38660

基本信息 展开↓

CAS号:
13478-93-8
3D弹球模型:
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分子式:
C8H14N4NiO4
分子量:
288.91500
中文名称:
丁二酮肟镍
英文名称:
NICKEL DIMETHYLGLYOXIME
中文别名:
丁二酮肟镍;
二甲基乙二肟镍
英文别名:
NICKEL DIMETHYLGLYOXIME;
Nickel dimethylglyoximate;
Bis(2,3-butanedione dioximato)nickel;
NICKEL(II) DIMETHYLGLYOXIME;
Bis(dimethylglyoximato)nickel (II);
Bis(dimethylglyoximato)nickel;
Bis(dimethylglyoxime)nickel;
bis(butanedione dioximato)nickel;
Nickel dimethylglyoxime
精确分子量/精确质量:
288.03700
极性分子表面积/PSA:
108.36000
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:
MFCD00136028
EINECS:
236-782-7
InChI:
The Key: UNMGLSGVXHBBPH-VPZFOSHBSA-L

物化性质展开↓

熔点:
250ºC (subl.)
沸点:
192ºC at 760mmHg
闪点:
69.9ºC
蒸汽压:
0.134mmHg at 25°C
存储条件/存储方法:

常温密闭,阴凉通风干燥

稳定性相关:

常温常压下稳定

避免的物料 氧化剂

其它信息:

1.       性状:粉末

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):不适用的

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:不能溶解的

化学图谱

  1. 丁二酮肟镍质谱(MS)

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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;

2、致敏作用:通过皮肤接触可能造成敏化作用。

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:       Nickel (II) dimethylglyoxime,99%    
   CAS Registry Number:       13478-93-8    
   Formula:       Ni(HC4H6N2O2)2    
   EINECS Number:       236-782-7    
   Chemical Family:       organometallic complexes    
   Synonym:       Dimethylglyoxime, nickel salt    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       13478-93-8       100%       0.2mg/m3 (as Ni)       1mg/m3 (as Ni)    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and mucous membranes. May cause cancer.    
   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:       Ingestion may lead to vomiting, and diarrhea.    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Prolonged exposure to nickel and nickel compounds may lead to skin irritation and dermatitis, and affect
   Chronic Health Affects:
   kidney, liver, and lung function. May cause 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 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:       not applicable    
   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 toxic fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Small spills can be mixed with vermiculite, sodium carbonate or other suitable non combustible adsorbent and
   Spill and Leak Procedures:
   swept up.

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a cool, dry place 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 clothing and gloves.    
   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 Respirator
   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:       reddish-purple pwdr.    
   Molecular Weight:       288.94    
   Melting Point:       250°C subl.    
   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    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       oxidizing agents    
   Decomposition Products:       carbon monoxide, carbon dioxide, nickel oxide and organic fumes.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   Carcinogenic Effects:       Carcinogen (as Ni)    
   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: See category code N495 for reporting.    
   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:288.036854 Da

8、标称质量:288 Da

9、平均质量:288.9146 Da

计算化学数据


1、   氢键供体数量:4

2、   氢键受体数量:8

3、   可旋转化学键数量:2

4、   互变异构体数量:10

5、   拓扑分子极性表面积(TPSA):123

6、   重原子数量:17

7、   表面电荷:0

8、   复杂度:119

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:2

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:3

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