二乙基二硫代氨基甲酸镍

二乙基二硫代氨基甲酸镍 基本信息
CAS号 14267-17-5 分子式 C10H20N2NiS4
分子量 355.23300 精确质量  353.98600
PSA  121.26000 LogP  3.62120

等价的CAS号:

14267-17-5,1079097-20-3,52610-81-8

基本信息 展开↓

CAS号:
14267-17-5
3D弹球模型:
立即前往扯扯看
分子式:
C10H20N2NiS4
分子量:
355.23300
中文名称:
二乙基二硫代氨基甲酸镍
英文名称:
Nickel Diethyldithiocarbamate
中文别名:
二乙基二硫代氨基甲酸镍;
palladium(2+) chloride-N,N,N',N'-tetramethylethane-1,2-diamine (1:2:1);
dichloro(n,n,n',n'-tetramethylethylenediamine)palladium(II);
dichloro(N,N,N',N'-tetramethylethylene-diamine)pa;
dichloronickel;
Bis(tri-N-butylphosphine)dichloronickel;
Bis(triphenylphosphine)nickel(II)dichloride;
Bis(triphenylphosphine)nickel(II)chloride;
4H-1-Benzopyran-4-one, 7-((6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoxyl)oxy)-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-, (S)-;
Flavanone, 4',5,7-trihydroxy-, 7-beta-rutinoside;
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxyhexopyranosyl)hexopyranoside;
(2S)-5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside;
5-hydroxy-2-(4-hydroxyphenyl)-4-oxo-3,4-dihydro-2H-chromen-7-yl 6-O-(6-deoxy-alpha-L-mannopyranosyl)-beta-D-glucopyranoside;
(S)-7-[[6-O-(6-deoxy-α-L-mannopyranosyl)-β-D-glucopyranosyl]oxy]-2,3-dihydro-5-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one;
ethanedioate,
英文别名:
Nickel Diethyldithiocarbamate;
N,N-diethylcarbamodithioate,nickel(2+);
Diethyldithiocarbamic Acid Nickel Salt;
Nickel DiethyldithiocarbaMate
精确分子量/精确质量:
353.98600
极性分子表面积/PSA:
121.26000
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。
EINECS:
238-157-4
InChI:
InChI=1/2C5H11NS2.Ni/c2*1-3-6(4-2)5(7)8;/h2*3-4H2,1-2H3,(H,7,8);/q;;+2/p-2/rC10H20N2NiS4/c1-5-11(6-2)9(14)16-13-17-10(15)12(7-3)8-4/h5-8H2,1-4H3

物化性质展开↓

沸点:
176.4ºC at 760mmHg
闪点:
60.5ºC
其它信息:

1.       性状:未确定

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):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:未确定

安全信息展开↓

危险类别码:
20/21/22
安全说明:
36/37/39

合成路线查看所有的合成路线

  • 97-77-8

    双硫仑

  • +

  • 7440-02-0

  • 14267-17-5

    二乙基二硫代氨基甲酸镍

  • 40556-10-3

    40556-10-3

  • 14267-17-5

    二乙基二硫代氨基甲酸镍

  • 54721-62-9

    54721-62-9

  • 14267-17-5

    二乙基二硫代氨基甲酸镍

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。

MSDS 展开↓


Section I.Chemical Product and Company Identification
    Chemical Name Nickel Diethyldithiocarbamate
    Portland OR
    Synonym        Nickel, bis(N,N-diethylcarbamodithioato-    
    kappaS,kappaS')-, (SP-4-1)- (CA INDEX NAME);
    Diethyldithiocarbamic Acid Nickel Salt
    Chemical Formula        C10H20N2NiS4    
    14267-17-5
    CAS Number

Section II.        Composition and Information on Ingredients    
    Chemical Name        CAS Number Percent (%)        TLV/PEL        Toxicology Data    
    Nickel Diethyldithiocarbamate        14267-17-5        Min. 97.0 (T)        This chemical is classified as a        Not available.    
    carcinogen. There is no
    acceptable exposure limit for a
    carcinogen.

Section III. Hazards Identification
    Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
    Acute Health Effects
    Skin contact may result in sensitization. Always cover all exposed skin with an impermeable layer and use proper eye
    protection. A OSHA/MSHA approved dust and vapor respirator is required when working with this material.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.
    CARCINOGENIC EFFECTS : Carcinogenic by RTECS criteria.
    Chronic Health Effects
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.

Section IV.        First Aid Measures    
    Check for and remove any contact lenses. In case of contact, immediately flush eyes with plenty of water for at least 15
    Eye Contact
    minutes. Get medical attention.
    Skin Contact        In case of contact, immediately flush skin with plenty of water. Remove contaminated clothing and shoes. Wash clothing    
    before reuse. Thoroughly clean shoes before reuse. Get medical attention.
    Inhalation        If the victim is not breathing, perform mouth-to-mouth resuscitation. Loosen tight clothing such as a collar, tie, belt or    
    waistband. If breathing is difficult, oxygen can be administered. Seek medical attention if respiration problems do not
    improve.
    Ingestion        INDUCE VOMITING by sticking finger in throat. Lower the head so that the vomit will not reenter the mouth and throat.    
    Loosen tight clothing such as a collar, tie, belt or waistband. If the victim is not breathing, perform mouth-to-mouth
    resuscitation. Examine the lips and mouth to ascertain whether the tissues are damaged, a possible indication that the toxic
    material was ingested; the absence of such signs, however, is not conclusive.

Section V.        Fire and Explosion Data    
    Not available.
    Auto-Ignition
    Flammability        May be combustible at high temperature.    
    Flammable Limits        Not available.    
    Flash Points        267°C (512.6°F)    
    Combustion Products        These products are toxic carbon oxides (CO, CO2), nitrogen oxides (NO, NO2), sulfur oxides (SO2, SO3...). Some metallic    
    oxides.
    Fire Hazards        Not available.    
    Risks of explosion of the product in presence of mechanical impact: Not available.
    Explosion Hazards
    Risks of explosion of the product in presence of static discharge: Not available.
    Fire Fighting Media        SMALL FIRE: Use DRY chemical powder.    
    and Instructions        LARGE FIRE: Use water spray, fog or foam. DO NOT use water jet.    
    Consult with local fire authorities before attempting large scale fire-fighting operations.
    Continued on Next Page
    Nickel Diethyldithiocarbamate

Section VI.        Accidental Release Measures    
    Spill Cleanup        Harmful material. This material is a skin and respiratory sensitizer. Carcinogenic material.    
    Use a shovel to put the material into a convenient waste disposal container. Consult federal, state, and/or local authorities for
    Instructions
    assistance on disposal.

Section VII. Handling and Storage
    Handling and Storage        HARMFUL. SKIN AND RESPIRATORY SENSITIZER. CARCINOGEN. Keep away from heat. Mechanical exhaust required.    
    When not in use, tightly seal the container and store in a dry, cool place. Avoid excessive heat and light. Do not breathe
    Information
    dust.
    Always store away from incompatible compounds such as oxidizing agents.

Section VIII. Exposure Controls/Personal Protection
    Use process enclosures, local exhaust ventilation, or other engineering controls to keep airborne levels below recommended
    Engineering Controls
    exposure limits. If user operations generate dust, fume or mist, use ventilation to keep exposure to airborne contaminants
    below the exposure limit.
    Personal Protection        Splash goggles. Lab coat. Dust respirator. Boots. Gloves. Suggested protective clothing might not be sufficient; consult a    
    specialist BEFORE handling this product. Be sure to use a MSHA/NIOSH approved respirator or equivalent.
    Exposure Limits        This chemical is classified as a carcinogen. There is no acceptable exposure limit for a carcinogen.    

Section IX. Physical and Chemical Properties
    Solid. (Crystal ~ powder,        Solubility    
    Physical state @ 20°C        Soluble in pyridine.    
    deep yellow green ~ deep green.)
    Not available.
    Specific Gravity
    Molecular Weight        355.23        Partition Coefficient    
    Not available.
    Boiling Point        Not available.        Vapor Pressure        Not applicable.    
    Not available.        Not available.    
    Melting Point        Vapor Density    
    Refractive Index        Not available.        Volatility        Not available.    
    Not available.        Not available.    
    Critical Temperature        Odor    
    Viscosity        Not available.        Taste        Not available.    

Section X.        Stability and Reactivity Data    

This material is stable if stored under proper conditions. (See Section VII for instructions)
    Stability
    Conditions of Instability        Avoid excessive heat and light.    
    Incompatibilities
    Reactive with oxidizing agents.

Section XI. Toxicological Information
    Not available.
    RTECS Number
    Eye Contact. Ingestion. Inhalation.
    Routes of Exposure
    Not available.
    Toxicity Data
    Chronic Toxic Effects        CARCINOGENIC EFFECTS : Carcinogenic by RTECS criteria.    
    MUTAGENIC EFFECTS : Not available.
    TERATOGENIC EFFECTS : Not available.
    DEVELOPMENTAL TOXICITY: Not available.
    Repeated or prolonged exposure to this compound is not known to aggravate existing medical conditions.
    Harmful if ingested or inhaled. Minimize exposure to this material. Severe overexposure can result in injury or death.
    Acute Toxic Effects
    Skin contact may result in sensitization. Always cover all exposed skin with an impermeable layer and use proper eye
    protection. A OSHA/MSHA approved dust and vapor respirator is required when working with this material.
    Follow safe industrial hygiene practices and always wear proper protective equipment when handling this compound.

Section XII.        Ecological Information    
    Not available.
    Ecotoxicity
    Environmental Fate        Not available.    
    Continued on Next Page
    Nickel Diethyldithiocarbamate

Section XIII. Disposal Considerations
    Waste Disposal        Recycle to process, if possible. Consult your local regional authorities. You may be able to dissolve or mix material with a    
    combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber system. Observe all
    federal, state and local regulations when disposing of the substance.

Section XIV. Transport Information
    Not a DOT controlled material (United States).
    DOT Classification
    PIN Number        Not applicable.    
    Proper Shipping Name        Not applicable.    
    Packing Group (PG)        Not applicable.    
    DOT Pictograms

Section XV. Other Regulatory Information and Pictograms
    TSCA Chemical Inventory        This compound is ON the EPA Toxic Substances Control Act (TSCA) inventory list.    
    (EPA)
    WHMIS Classification        CLASS D-2B: Material causing other toxic effects (TOXIC).    
    On NDSL.
    (Canada)
    EINECS Number (EEC) 238-157-4
    EEC Risk Statements        R20/21/22- Harmful by inhalation, in contact with skin and if swallowed.    
    R45- May cause cancer.


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:353.986278 Da

8、标称质量:354 Da

9、平均质量:355.2326 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: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:无

6.拓扑分子极性表面积72.7

7.重原子数量:17

8.表面电荷:0

9.复杂度:73

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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