二(五甲基环戊二烯基)六氟磷酸钴(III)

二(五甲基环戊二烯基)六氟磷酸钴(III) 基本信息
CAS号 79973-42-5 分子式 C20H30CoF6P
分子量 474.35000 精确质量  474.13200
PSA  13.59000 LogP  9.32640

基本信息 展开↓

CAS号:
79973-42-5
3D弹球模型:
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分子式:
C20H30CoF6P
分子量:
474.35000
中文名称:
二(五甲基环戊二烯基)六氟磷酸钴(III)
英文名称:
BIS(PENTAMETHYLCYCLOPENTADIENYL)COBALT(III) HEXAFLUOROPHOSPHATE
中文别名:
二(五甲基环戊二烯基)六氟磷酸钴(III);
双(五甲基环辛二烯)铬六氟磷酸
英文别名:
BIS(PENTAMETHYLCYCLOPENTADIENYL)COBALT(III) HEXAFLUOROPHOSPHATE;
decamethylcobalticinium hexafluorophosphate;
DECAMETHYLCOBALTOCENIUM HEXAFLUOROPHOSPHATE;
decamethylcobaltocinium hexafluorophosphate
精确分子量/精确质量:
474.13200
极性分子表面积/PSA:
13.59000
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:
MFCD00269818
PubChem:
24872851
InChI:
InChI=1/2C10H15.Co.F6P/c2*1-6-7(2)9(4)10(5)8(6)3;;1-7(2,3,4,5)6/h2*1-5H3;;/q;;;-1

物化性质展开↓

熔点:
305ºC
存储条件/存储方法:

存放在密封容器内,并放在阴凉,干燥处。储存的地方必须远离氧化剂。避免接触水源。

稳定性相关:

远离氧化物,水

其它信息:

1.       性状:固体。

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):305

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↓

包装等级:
III
危险类别码:
R14
安全说明:
26-27-36/37/39-45
安全标志:
S26:万一接触眼睛,立即使用大量清水冲洗并送医诊治。
S27:立刻除去所有污染衣物。
S45:出现意外或者感到不适,立刻到医生那里寻求帮助(最好带去产品容器标签)。
:
危险标志:
C: Corrosive;

合成路线查看所有的合成路线

  • 74507-62-3

    双(五甲基环戊烯)钴(II)

  • +

  • 174501-64-5

    1-丁基-3-甲基咪唑六氟磷酸盐

  • 79973-42-5

    二(五甲基环戊二烯基)六氟磷酸钴(III)

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:       Bis(pentamethylcyclopentadienyl)cobalticinium hexafluorophosphate, 98%    
   CAS Registry Number:       79973-42-5    
   Formula:       [(CH3)5C5]2Co+PF6-    
   EINECS Number:       none    
   Chemical Family:       metallocene    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       79973-42-5       100%       0.02mg/m3 (as Co)       no data    

Section 3: Hazards Identification
   Causes irritation of eyes, skin, and respiratory tract. May cause lung disease, polycythemia, congestive failure,
   Emergency Overview:
   and enlargement of the thyroid. Limited evidence of a carcinogenic effect.
   Primary Routes of Exposure:       Skin and eyes, ingestion and dust inhalation.    
   Eye Contact:       Causes irritation, redness, and pain.    
   Skin Contact:       May cause dermatitis. Causes irritation to skin. Symptoms include redness, itching, and pain.    
   Causes irritation to the respiratory tract. Symptoms may include coughing, shortness of breath, nausea,
   Inhalation:
   respiratory hypersensitivity, asthma.
   Causes abdominal pain, nausea, vomiting, flushing of the face and ears, mild hypo tension, rash, and ringing
   Ingestion:
   in the ears.
   Irritating to skin, eyes and respiratory tract. Causes abdominal pain, nausea, vomiting, coughing, and
   Acute Health Affects:
   shortness of breath.
   Repeated oral administration of cobalt salts may reduce thyroid activity, cause blood disease, and damage
   Chronic Health Affects:       kidney, heart and lungs. Prolonged or repeated skin exposure may cause dermatitis. Limited evidence of a    
   carcinogenic effect.
   NTP:       No    
   IARC:       No    
   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 organic fumes and vapors of phosphorus pentoxide.    
   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 area away from heat and direct sunlight.    

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:       yellow to orange pwdr.    
   Molecular Weight:       474.35    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       none    
   Solubility in Water:       slightly soluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       none    
   Incompatibility:       Oxidizing agent and halogens    
   Decomposition Products:       Cobalt oxide, phosphorus pentoxide, and hydrogen fluoride.    

SECTION 11: Toxicological Information
   RTECS Data:       No specific information available on this product.    
   Carcinogenic Effects:       Possible carcinogen (as Co)    
   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:       Not listed in the TSCA inventory.    
   SARA (Title 313):       Title compound: See category N096 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:

3、   氢键受体数量:

4、   可旋转化学键数量:

5、   拓扑分子极性表面积(TPSA):

6、   重原子数量:

7、   表面电荷:

8、   复杂度:

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:1

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