硬脂酸镍

硬脂酸镍 基本信息
CAS号 2223-95-2 分子式 C18H36O2.1/2Ni
分子量 627.65906 精确质量  626.47841
PSA  52.60000 LogP  12.51080

基本信息 展开↓

CAS号:
2223-95-2
3D弹球模型:
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分子式:
C18H36O2.1/2Ni
分子量:
627.65906
中文名称:
硬脂酸镍
英文名称:
Octadecanoic acid, nickel(2+) salt (2:1)
中文别名:
硬脂酸镍;
Cadmiumstearateminwhitepowder;
cadmium octadecanoate;
cadmium dioctadecanoate;
Cadmium stearate;
2,2-dimethylpropane-1,3-diyl bisprop-2-enoate;
2,2-dimethylpropane-1,1-diyl bisprop-2-enoate;
2,2-Dimethylpropanediol diacrylate;
DIBENZO[A,D]-CYCLOHEPTENE-5-ONE;
DIBENZO[A,B] CYCLOHEPTEN-5-ONE;
2,3,6,7-Dibenzotropone;
Dibenzo[a,d]cyclohepten-5-one;
Dibenzosuberenone;
Benzenemethanol, 4-methyl-, acetate;
Benzyl alcohol, p-methyl-, acetate (6CI,7CI,8CI);
4-Methylbenzyl acetate;
2-(2-methoxyphenyl)oxirane;
2-[(2-methoxyphenoxy)methyl]oxirane;
2-[(2-methoxyphenoxy) methyl]-Oxirane;
Guaiacol glycidyl ether;
isobutyl-[2]naphthyl ether;
Isobutyl-[2]naphthyl-aether;
2-Isobutyloxy-naphthalin;
Isobutyl-β-naphthyl-aether;
β-naphthyl isobutyl ether;
isobutoxynaphthalene;
LA 956;
Myamin;
NPL 1;
NSC 169499;
NSC 25159;
Nitan;
Notair;
Okodon;
PIO;
PT 360;
Pemolin;
Pemolina;
Pemolinum;
Phenalone;
Phenilone;
Pheniminooxazolidinone;
Phenoxazole;
Phenylisohydantoin;
Phenylpseudohydantoin;
Pioxol;
Pomoline;
Pondex;
Ronyl;
Sigmadyn;
Sistra;
Sofro;
Stimul;
Stimulol;
Tradon;
Tradone;
V
英文别名:
Octadecanoic acid, nickel(2+) salt (2:1);
Nickel stearate (7CI);
Octadecanoic acid, nickel(2+) salt (9CI);
Stearic acid, nickel(2+) salt (8CI);
Nickel distearate;
Nickel(2+) stearate;
Nickel(II) stearate
精确分子量/精确质量:
626.47841
极性分子表面积/PSA:
52.60000
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:
MFCD00054344
EINECS:
218-744-1
PubChem:
24878715
InChI:
InChI=1/2C18H36O2.Ni/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2

生产制备方法及用途展开↓

制备方法


1.将等摩尔量的硬脂酸和醋酸镍混匀后,在117~118℃下加热,蒸出乙酸和结晶水,反应完成后即得到定量的硬脂酸镍产品。本反应也可在过量的乙酸或沸点高于乙酸的适当溶剂中进行。若溶剂的沸点过高,可在减压下进行加热,并蒸出溶剂。 2.将15g硬脂酸钠溶在1L热水中,得到清澈的溶液后,趁热将此溶液加入稍过量的1%氯化镍或硫酸镍溶液中,一边加一边强力搅拌,待析出絮状的硬脂酸镍沉淀后,用倾泻法彻底洗涤,直到无可溶性镍盐存在为止。将产品置空气浴中在115~120℃下干燥10~20h。冷却后得到玻璃状的固体硬脂酸镍产品,粉碎后置密封瓶中保存。

合成制备方法


1.将等摩尔量的硬脂酸和醋酸镍混匀后,在117~118℃下加热,蒸出乙酸和结晶水,反应完成后即得到定量的硬脂酸镍产品。本反应也可在过量的乙酸或沸点高于乙酸的适当溶剂中进行。若溶剂的沸点过高,可在减压下进行加热,并蒸出溶剂。

2.将15g硬脂酸钠溶在1L热水中,得到清澈的溶液后,趁热将此溶液加入稍过量的1%氯化镍或硫酸镍溶液中,一边加一边强力搅拌,待析出絮状的硬脂酸镍沉淀后,用倾泻法彻底洗涤,直到无可溶性镍盐存在为止。将产品置空气浴中在115~120℃下干燥10~20h。冷却后得到玻璃状的固体硬脂酸镍产品,粉碎后置密封瓶中保存。

用途简介


用作表面活性剂叔胺生产的催化剂

物化性质展开↓

密度:
1.13
熔点:
82-86ºC(lit.)
沸点:
359.4ºC at 760mmHg
闪点:
162.4ºC
蒸汽压:
8.58E-06mmHg at 25°C
存储条件/存储方法:

保持容器密封,放入紧密的出藏器内,储存在阴凉,干燥的地方

稳定性相关:

避免氧化物接触

其它信息:

1.      性状:蜡状绿色固体。

2.      密度(g/mL,20ºC):1.13

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):100

5.      沸点(ºC,常压):未确定

6.      沸点(ºC 13mmHg):未确定

7.      折射率(nD20):未确定

8.      闪点(ºC):163

9.      比旋光度():未确定

10.   自燃点或引燃温度(ºC):未确定

11.   蒸气压(Pa,25ºC):未确定

12.   饱和蒸气压(kPa,20ºC):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

安全信息展开↓

危险类别码:
R22
安全说明:
22-36/37/39-61-60-36/37
安全标志:
S22:不要吸入粉尘。
S60:本物质残余物和容器必须作为危险废物处理。
S61:避免排放到环境中。参考专门的说明/安全数据表。
:
危险标志:
Xn: Harmful;N: Dangerous for the environment;

合成路线查看所有的合成路线

  • 6018-89-9

    醋酸镍(四水)

  • +

  • 57-11-4

    硬脂酸

  • ~64%

  • 2223-95-2

    硬脂酸镍

  • 7245-23-0

    nickel methanolate

  • +

  • 57-11-4

    硬脂酸

  • 2223-95-2

    硬脂酸镍

  • 373-02-4

    醋酸镍

  • +

  • 57-11-4

    硬脂酸

  • 2223-95-2

    硬脂酸镍

毒理性展开↓

生态数据:

通常对水是不危害的,若无政府许可,勿将材料排入周围环境。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Nickel (II) stearate    
   CAS Registry Number:       2223-95-2    
   Formula:       Ni(O2C18H35)2    
   EINECS Number:       218-744-1    
   Chemical Family:       metal carboxylate    
   Synonym:       steric acid, nickel salt    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       2223-95-2       100%       0.2mg/m3 (as Ni)       1mg/m3 (as Ni)    

Section 3: Hazards Identification
   May be irritating to skin, eyes and respiratory tract. May cause sensitization by skin contact. May cause
   Emergency Overview:
   cancer.
   Primary Routes of Exposure:       Ingestion, inhalation of dust    
   Eye Contact:       May cause irritation of the eyes, redness and pain.    
   May cause irritation of the skin with redness or rash. Prolonged contact with nickel salts may lead to
   Skin Contact:
   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.    
   Prolonged 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 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:       waxy green solid    
   Molecular Weight:       625.67    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       1.13    
   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:       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↓

计算化学数据


1、   疏水参数计算参考值(XlogP):

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:30

5、   互变异构体数量:

6、   拓扑分子极性表面积(TPSA):80.3

7、   重原子数量:41

8、   表面电荷:0

9、   复杂度:196

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

上下游相关产品

上游产品

更多
  • 6018-89-9

    醋酸镍(四水)

  • 57-11-4

    硬脂酸

  • 373-02-4

    醋酸镍

  • 7245-23-0

    nickel methanolate

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