双(五甲基环戊二烯)镍

双(五甲基环戊二烯)镍 基本信息
CAS号 74507-63-4 分子式 C20H30Ni
分子量 329.14600 精确质量  328.17000
PSA  0.00000 LogP  5.94400

基本信息 展开↓

CAS号:
74507-63-4
分子式:
C20H30Ni
分子量:
329.14600
中文名称:
双(五甲基环戊二烯)镍
英文名称:
Bis(pentamethylcyclopentadienyl)nickel
中文别名:
双(五甲基环戊二烯)镍;
双(五甲基环戊烯)镍
英文别名:
Bis(pentamethylcyclopentadienyl)nickel;
nickel(2+),1,2,3,5,5-pentamethylcyclopenta-1,3-diene
精确分子量/精确质量:
328.17000
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:
MFCD00058704
PubChem:
24872847
InChI:
InChI=1/2C10H15.Ni/c2*1-6-7(2)9(4)10(5)8(6)3;/h2*1-5H3;/q-5;-1;

生产制备方法及用途展开↓

制备方法


化学试剂

用途简介


用途


化学试剂

物化性质展开↓

熔点:
261-266ºC(lit.)
沸点:
170.2ºC at 760 mmHg
闪点:
44.4ºC
存储条件/存储方法:

存放在密封容器内,并放在阴凉,干燥处。储存的地方必须上锁,钥匙必须交给技术专家和他们的助手保管。储存的地方必须远离氧化剂。

稳定性相关:

远离氧化物

其它信息:

1.       性状:晶体。

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):261-266

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):>110

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↓

包装等级:
II
危险类别码:
R20/21/22
安全说明:
36
安全标志:
S36:穿戴合适的防护服装。
危险标志:
Xn: Harmful;

毒理性展开↓

生态数据:

对水是极其危害的,即使是小量的。不要让该产品接触地下水,水道污水系统,即使是小量该产品渗入地下水也会对饮用水造成危险,对水中的鱼类和浮游生物也有毒害。对水中有机物质有剧毒。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:       Bis(pentamethylcyclopentadienyl)nickel, 98% (Decamethylnickelocene)    
   CAS Registry Number:       74507-63-4    
   Formula:       [(CH3)5C5]2Ni    
   EINECS Number:       None    
   Chemical Family:       metallocene    
   Synonym:       Decamethylnickelocene    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       74507-63-4       100%       0.2mg/m3 (as Ni)       1mg/m3 (as Ni)    

Section 3: Hazards Identification
   Dust can cause headaches, sore throat, shortness of breath, lung damage and cancer. Ingestion of large
   Emergency Overview:
   amounts of nickel salts may cause intestinal disorders, convulsions, and asphyxia.
   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.    
   Nickel salts may be irritating to skin, eyes and respiratory tract, causing intestinal disorders, convulsions,
   Acute Health Affects:
   asphyxia, sensitization dermatitis, allergic asthma, and pneumonitis
   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: Flammable solid. Dust may form explosive mixtures with air.

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
   Keep material in a tightly sealed container. Store cold. Prolonged exposure to the air will result in degradation
   Handling and Storage:
   of the product. Handle and store material under an inert atmosphere of nitrogen or argon.

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:       greenish-black xtl.    
   Molecular Weight:       329.17    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air sensitive, (store cold)    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       Air and moisture. Keep away from ignition sources.    
   Incompatibility:       oxygen, oxidizing agents and halogens    
   Decomposition Products:       carbon dioxide, carbon monoxide, organic fumes, and nickel oxide.    

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):       Flammable solids, Organic, N.O.S.    
   Hazard Class (CFR):       4.1    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       II    
   UN ID Number (CFR):       UN# 1325    
   Shipping Name (IATA):       Flammable solid, Organic, N.O.S.    
   Hazard Class (IATA):       4.1    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       II    
   UN ID Number (IATA):       UN# 1325    

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↓

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:2

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:21

8.表面电荷:0

9.复杂度:484

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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