氟化镍(四水)

氟化镍(四水) 基本信息
CAS号 13940-83-5 分子式 F2Ni.4H2O
分子量 168.74485 精确质量  167.97441
PSA  36.92000 LogP  0.58320

等价的CAS号:

133963-57-2,13940-83-5,26085-59-6,36470-49-2

基本信息 展开↓

CAS号:
13940-83-5
3D弹球模型:
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分子式:
F2Ni.4H2O
分子量:
168.74485
中文名称:
氟化镍(四水)
英文名称:
Nickel fluoride (NiF2), tetrahydrate (8CI,9CI)
中文别名:
氟化镍(四水);
四水合氟化镍(II)
英文别名:
Nickel fluoride (NiF2), tetrahydrate (8CI,9CI);
Nickel difluoride tetrahydrate
精确分子量/精确质量:
167.97441
极性分子表面积/PSA:
36.92000
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:
MFCD00016263
EINECS:
233-071-3
InChI:
The Key: HHPKUIWWHLVHQQ-UHFFFAOYSA-L

物化性质展开↓

外观与性状:
绿色结晶粉末
熔点:
233 °C (dec.)(lit.)
存储条件/存储方法:

常温密闭避光,通风干燥

稳定性相关:

常温常压下不稳定

避免的物料:酸

其它信息:

1.       性状:绿色无味粉末

2.       密度(g/mL,25/4):4.6

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
危险类别码:
R20/21/22
安全说明:
S22-S26-S36/37/39-S45
安全标志:
S22:不要吸入粉尘。
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
T: Toxic;

化学图谱

  1. 四水合氟化镍(II)红外图谱(IR1)

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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:可能引起发炎;

在眼睛上面:可能引起发炎;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:       Nickel (II) fluoride tetrahydrate, 98+%    
   CAS Registry Number:       13940-83-5    
   Formula:       NiF2.4H2O    
   EINECS Number:       233-071-3    
   Chemical Family:       metal halide    
   Synonym:       Nickel difluoride hydrate, Nickelous fluoride hydrate    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       13940-83-5       60%       0.1mg/m3 (as Ni)       1mg/m3 (as Ni)    

Section 3: Hazards Identification
   Irritating to skin, eyes and respiratory tract. May cause sensitization by inhalation and skin contact. May cause
   Emergency Overview:
   fluoride poisoning. May cause cancer.
   Primary Routes of Exposure:       Ingestion, inhalation, skin, eyes.    
   Eye Contact:       Causes irritation and serious eye damage. Effects may not immediately appear.    
   Causes irritation, with delayed redness and pain. Soluble fluoride may be corrosive. Nickel salts may lead to
   Skin Contact:
   dermatitis.
   Inhalation:       May cause sensitization by inhalation. Inhalation causes severe irritation to the respiratory tract.    
   Ingestion:       May cause salivation, nausea, vomiting, diarrhea, and abdominal pain.    
   Fluoride poisoning may cause nausea, vomiting, diarrhea, weakness, coma, and cardiovascular collapse.
   Acute Health Affects:
   Nickel salts may cause convulsions, asphyxia, and sensitization dermatitis.
   Prolonged exposure to hydrolysable fluorine compounds can cause deterioration of bone and tooth structure.
   Chronic Health Affects:       Prolonged exposure to nickel and nickel compounds may lead to skin irritation and dermatitis. 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. Apply calcium gluconate jelly
   Skin Exposure:
   or water soluble calcium salts as antidote. Seek medical assistance.
   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:       None. Material is non-flammable.    
   Special Fire Fighting Procedures:       No special fire fighting procedures required.    
   Hazardous Combustion and       If involved in a fire this material may emit corrosive fumes of hydrofluoric acid.    
   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 powdered sodium bicarbonate, lime, or calcium carbonate and swept up.    

SECTION 7: Handling and Storage
   Handling and Storage:       Store solid 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. Consult with glove manufacturer to determine the proper type of glove.    
   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:       green pwdr.    
   Molecular Weight:       96.71 (168.77)    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       none    
   Decomposition Products:       Metal fluorides and water    

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:167.974414 Da

8、标称质量:168 Da

9、平均质量:168.7513 Da

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:4

3.氢键受体数量:6

4.可旋转化学键数量:0

5.互变异构体数量:无

6.拓扑分子极性表面积4

7.重原子数量:7

8.表面电荷:0

9.复杂度:2.8

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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