四苄基锆

四苄基锆 基本信息
CAS号 24356-01-2 分子式 C28H28Zr
分子量 455.74600 精确质量  454.12400
PSA  0.00000 LogP  8.00920

基本信息 展开↓

CAS号:
24356-01-2
3D弹球模型:
立即前往扯扯看
分子式:
C28H28Zr
分子量:
455.74600
中文名称:
四苄基锆
英文名称:
methanidylbenzene,zirconium(4+)
中文别名:
四苄基锆;
四苄基锆(禁运)
英文别名:
methanidylbenzene,zirconium(4+);
Benzene,methyl-,zirconium complex;
Tetrabenzylzirconium;
zirconium tetrabenzyl complex
精确分子量/精确质量:
454.12400
极性分子表面积/PSA:
0.00000
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:
MFCD00800569
InChI:
The Key: IJGRUMAEYZWBQI-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


由四氯化锆与苄基格利雅试剂反应制得。

合成制备方法


 

 由四氯化锆与苄基格利雅试剂反应制得。

 

   

用途简介


是烯烃聚合反应催化剂及异构化反应催化剂。

用途


 是烯烃聚合反应催化剂及异构化反应催化剂。

物化性质展开↓

熔点:
116ºC (dec.)(lit.)
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

对光敏感。

 

其它信息:

1.       性状:黄色晶体。

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):133134

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↓

海关代码:
2902909090
危险类别码:
15-11-17
安全说明:
8-43-16-6
安全标志:
S6:保存在...气氛下(一种惰性气体的名字)。
S8:保持容器干燥。
S16:远离火源。
S43:灭火时使用...(某种合适的灭火装置名称)。
危险标志:
F: Flammable;

合成路线查看所有的合成路线

  • 6928-77-4

    [Mg(benzyl)2]

  • +

  • 10026-11-6

    氯化锆(IV)

  • ~68%

  • 24356-01-2

    四苄基锆

  • 1589-82-8

    苄基溴化镁

  • +

  • 10026-11-6

    氯化锆(IV)

  • ~66%

  • 24356-01-2

    四苄基锆

  • 10026-11-6

    氯化锆(IV)

  • +

  • 6921-34-2

    苄基氯化镁

  • ~64%

  • 24356-01-2

    四苄基锆

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: Tetrabenzylzirconium Material Safety Data Sheet
Synonym: None
CAS: 24356-01-2
Section 1 - Chemical Product   MSDS Name:Tetrabenzylzirconium Material Safety Data Sheet
Synonym:None

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
24356-01-2 Tetrabenzylzirconium 100.0 unlisted
Hazard Symbols: None Listed.
Risk Phrases: 17

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Spontaneously flammable in air.Moisture sensitive.The toxicological properties of this material have not been fully investigated.Air sensitive.
Potential Health Effects
Eye:
May cause eye irritation. The toxicological properties of this material have not been fully investigated.
Skin:
May cause skin irritation. The toxicological properties of this material have not been fully investigated.
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.
Chronic:
No information found.

Section 4 - FIRST AID MEASURES
  Eyes: 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. 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:
Antidote: None reported.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
Evacuate area and fight fire from a safe distance. As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. May burn with invisible flame. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Spontaneously ignitable in air.
Extinguishing Media:
Use dry sand or earth to smother fire. Use agent most appropriate to extinguish fire. Do NOT get water inside containers. Contact professional fire-fighters immediately. DO NOT USE WATER, CO2, OR FOAM DIRECTLY ON FIRE ITSELF.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Clean up spills immediately, observing precautions in the Protective Equipment section. Sweep up or absorb material, then place into a suitable clean, dry, closed container for disposal. Isolate area and deny entry. Provide ventilation. Place under an inert atmosphere. Do not get water inside containers. Do not use combustible materials such as paper towels to clean up spill.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Minimize dust generation and accumulation. Use spark-proof tools and explosion proof equipment. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation. Handle under an inert atmosphere. Store protected from air. Do not allow contact with water. Keep from contact with moist air and steam.
Storage:
Keep away from heat, sparks, and flame. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances. Keep containers tightly closed. Do not expose to air. Store protected from moisture. Store under an inert atmosphere.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Use explosion-proof ventilation equipment. Use adequate ventilation to keep airborne concentrations low.
Exposure Limits CAS# 24356-01-2: 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:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Solid
Color: Not available.
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: soluble in toluene
Specific Gravity/Density:
Molecular Formula: C28H28Zr
Molecular Weight: 455.75

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Powder or liquid is pyrophoric.
Conditions to Avoid:
Incompatible materials, ignition sources, dust generation, moisture, exposure to air, strong oxidants.
Incompatibilities with Other Materials:
Strong oxidizing agents, moisture, air.
Hazardous Decomposition Products:
Irritating and toxic fumes and gases.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 24356-01-2 unlisted.
LD50/LC50:
Not available.
Carcinogenicity:
Tetrabenzylzirconium - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
  Other No information available.

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: Not available.
Risk Phrases:
R 17 Spontaneously flammable in air.
Safety Phrases:
S 24/25 Avoid contact with skin and eyes.
S 28A After contact with skin, wash immediately with
plenty of water.
S 37 Wear suitable gloves.
S 45 In case of accident or if you feel unwell, seek
medical advice immediately (show the label where
possible).
WGK (Water Danger/Protection)
CAS# 24356-01-2: No information available.
Canada
None of the chemicals in this product are listed on the DSL/NDSL list.
CAS# 24356-01-2 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 24356-01-2 is not listed on the TSCA inventory.
It is for research and development use only.


SECTION 16 - ADDITIONAL INFORMATION
N/A

海关数据查看详细

中国海关编码:2902909090

概述:
2902909090. 其他芳香烃. 增值税率:17.0%. 退税率:9.0%. 监管条件:无. 最惠国关税:2.0%. 普通关税:30.0%
申报要素:
品名, 成分含量
摘要/Summary:
2902909090 other aromatic hydrocarbons。Supervision conditions:None。VAT:17.0%。Tax rebate rate:9.0%。MFN tariff:2.0%。General tariff:30.0%

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:4

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0

7.重原子数量:29

8.表面电荷:0

9.复杂度:238

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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  • 6921-34-2

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