对二乙胺基苄硫基

对二乙胺基苄硫基 基本信息
CAS号 51449-18-4 分子式 C36H38N2NiS4
分子量 685.65400 精确质量 　684.12700
PSA 　134.84000 LogP 　9.33800
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目录
基本信息 物化性质 安全信息 毒性 MSDS 结构与计算数据

基本信息 展开↓

CAS号：
51449-18-4
分子式：
C36H38N2NiS4
分子量：
685.65400
中文名称：
对二乙胺基苄硫基
英文名称：
(Z)-1-[4-(diethylamino)phenyl]-2-phenylethene-1,2-dithiolate,nickel
中文别名：
对二乙胺基苄硫基
英文别名：
(Z)-1-[4-(diethylamino)phenyl]-2-phenylethene-1,2-dithiolate,nickel;
bis[1-[4-(diethylamino)phenyl]-2-phenyl-1,2-ethenedithiolato(2-)-s,s’]-nicke;
NICKEL COMPLEX 182;
BIS(4-DIETHYLAMINODITHIOBENZIL)NICKEL;
BIS(4-DIETHYLAMINODITHIOBENZYL)NICKEL;
Bis(4-diethylaminodithiobenzil)nickellasergrade;
Bis(4-diethylaminodithiobenzil)nickel, laser grade, pure, 99%;
Nickel, bis[1-[4-(diethylamino)phenyl] -2-phenyl-1,2-ethenedithiolato(2-)-S,S']-;
BIS(4-DIETHYLAMINODITHIOBENZIL)NICKEL, 99%, LASER GRADE, PURE
精确分子量/精确质量：
684.12700
极性分子表面积/PSA：
134.84000
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：
MFCD00042005

物化性质展开↓

存储条件/存储方法：

 

 密闭于阴凉干燥环境中

稳定性相关：

 

遵照规定使用和储存则不会分解。

其它信息：

1.       性状：无可用

2.       密度（g/mL,25/4℃）：无可用

3.       相对蒸汽密度（g/mL,空气=1）：无可用

4.       熔点（ºC）：无可用

5.       沸点（ºC,常压）：无可用

6.       沸点（ºC,5.2kPa）：无可用

7.       折射率：无可用

8.       闪点（ºC）：无可用

9.       比旋光度（º）：无可用

10.    自燃点或引燃温度（ºC）：无可用

11.    蒸气压（kPa,25ºC）：无可用

12.    饱和蒸气压（kPa,60ºC）：无可用

13.    燃烧热（KJ/mol）：无可用

14.    临界温度（ºC）：无可用

15.    临界压力（KPa）：无可用

16.    油水（辛醇/水）分配系数的对数值：无可用

17.    爆炸上限（%,V/V）：无可用

18.    爆炸下限（%,V/V）：无可用

19.    溶解性：无可用

安全信息展开↓

危险类别码：
43-20
安全说明：
7/9-37-24
安全标志：
S24:避免接触皮肤。
S37:使用合适的防护手套。

毒理性展开↓

生态数据：

 

该物质对环境可能有危害，对水体应给予特别注意。

MSDS 展开↓

Name: bis(4-Diethylaminodithiobenzil)nickel laser grade 99% (uv-vis) Material Safety Data Sheet
Synonym: Nickel complex 182; Nickel
CAS: 51449-18-4
Section 1 - Chemical Product   MSDS Name:bis(4-Diethylaminodithiobenzil)nickel laser grade 99% (uv-vis) Material Safety Data Sheet
Synonym:Nickel complex 182; Nickel
Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
51449-18-4 Bis(4-diethylaminodithiobenzil)nickel, 99 unlisted
Hazard Symbols: XN
Risk Phrases: 43 20
Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
May cause sensitization by skin contact. Harmful by inhalation.The toxicological properties of this material have not been fully investigated.
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation. May cause sensitization by skin contact.
Ingestion:
May cause irritation of the digestive tract. The toxicological properties of this substance have not been fully investigated.
Inhalation:
May cause respiratory tract irritation. The toxicological properties of this substance have not been fully investigated. May be harmful if inhaled.
Chronic:
No information found.
Section 4 - FIRST AID MEASURES
  Eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid.
Notes to Physician:
Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. Dusts at sufficient concentrations can form explosive mixtures with air. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media:
Use water spray, dry chemical, carbon dioxide, or appropriate foam.
Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Sweep up, then place into a suitable container for disposal. Avoid generating dusty conditions. Provide ventilation.
Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Use with adequate ventilation. Minimize dust generation and accumulation. Do not get in eyes, on skin, or on clothing. Keep container tightly closed. Do not ingest or inhale. Do not breathe dust.
Storage:
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 51449-18-4: United States OSHA: 1 mg/m3 TWA (as Ni) (listed under Nickel sol compounds).
Belgium - TWA: (listed as nickel soluble compounds): 0.1 mg/m3 VL (as Ni) Malaysia: (listed as nickel soluble compounds): 0.1 mg/m3 TWA (inhalable fraction, as Ni) Netherlands: (listed as nickel soluble compounds): 0.1 mg/m3 MAC Ni) Spain: (listed as nickel soluble compounds): 0.1 mg/m3 VLA-ED (as Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
A respiratory protection program that meets OSHA's 29 CFR 1910.134 and ANSI Z88.2 requirements or European Standard EN 149 must be followed whenever workplace conditions warrant respirator use.
Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: dark green
Odor: none reported
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not applicable.
Flash Point: Not applicable.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature: Not available.
Solubility in water: Not available.
Specific Gravity/Density: Not available.
Molecular Formula: C36H38N2NiS4
Molecular Weight: 685.66
Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures.
Conditions to Avoid:
Incompatible materials, strong oxidants.
Incompatibilities with Other Materials:
Oxidizing agents.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported.
Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 51449-18-4 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Bis(4-diethylaminodithiobenzil)nickel, laser grade - California: carcinogen, initial date 5/7/04 (listed as Nickel compound NTP: Known carcinogen (listed as Nickel compounds).
IARC: Group 1 carcinogen (listed as Nickel compounds).
Section 12 - ECOLOGICAL INFORMATION
 
Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.
Section 14 - TRANSPORT INFORMATION
 
IATA
Not regulated as a hazardous material.
IMO
Not regulated as a hazardous material.
RID/ADR
Not regulated as a hazardous material.
Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20 Harmful by inhalation.
R 43 May cause sensitization by skin contact.
Safety Phrases:
S 7/9 Keep container tightly closed and in a
well-ventilated place.
S 24 Avoid contact with skin.
S 37 Wear suitable gloves.
WGK (Water Danger/Protection)
CAS# 51449-18-4: No information available.
Canada
CAS# 51449-18-4 is listed on Canada's DSL List.
CAS# 51449-18-4 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 51449-18-4 is listed on the TSCA inventory.

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

2、   摩尔体积（cm3/mol）：无可用       

3、   等张比容（90.2K）：无可用

4、   表面张力（dyne/cm）：无可用

5、   极化率：无可用

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:6

4.可旋转化学键数量:10

5.互变异构体数量:无

6.拓扑分子极性表面积10.5

7.重原子数量:43

8.表面电荷:-4

9.复杂度:745

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:2

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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