环戊二烯三羰基铼

  • 基本信息
  • 物化性质
  • 安全信息
  • 毒理性
  • MSDS
  • 结构与计算化学

环戊二烯三羰基铼 基本信息

中文名称:
环戊二烯三羰基铼 
中文别名:
环戊二烯三羰基铼;
环戊二烯铼三羰基化合物 
英文名称:
Cyclopentadienylrhenium tricarbonyl
英文别名:
carbon monoxide,cyclopentane,rhenium;
Rhenium,tricarbonyl(eta5-cyclopentadienyl);
Cyclopentadienylrhenium tricarbonyl;
Tricarbonylcyclopentadienylrhenium 
CAS No.:
12079-73-1
分 子 式:
C8H5O3Re
分 子 量:
335.33
精确分子量:
335.98000
PSA:
0.00000
MDL:
MFCD00058885
风险术语:
R20/21/22;R36/37/38
安全术语:
S26;S36/37/39
分子结构式:
SDS:
查看

环戊二烯三羰基铼 物化性质

熔点:
111ºC
沸点:
65ºC/0.001mmHg
存储条件/存储方法:

常温密闭避光,通风干燥处

稳定性相关:

常温常压下稳定

避免的物料 氧化物

其它信息:

1.       性状:白色粉末

2.       密度(g/mL,18):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):111

5.       沸点(ºC,常压):未确定

6.       沸点(ºC0.001mmHg):65

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(20ºC):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

环戊二烯三羰基铼 安全信息

包装等级:
III
风险类别:
6.1
危险类别码:
20/21/22-36/37/38
安全说明:
26-36/37/39

环戊二烯三羰基铼 毒理性

毒理学数据:

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

致敏作用:没有已知的敏化现象

生态数据:

通常对水体是稍微有害的,不要将未稀释或大量产品接触地下水,水道或污水系统,未经政府许可勿将材料排入周围环境。

环戊二烯三羰基铼 MSDS


Section 1: Product Identification
   Chemical Name:       Cyclopentadienylrhenium tricarbonyl, 99%    
   CAS Registry Number:       12079-73-1    
   Formula:       (C5H5)Re(CO)3    
   EINECS Number:       none    
   Chemical Family:       metal carbonyl complexes    
   Synonym:       none    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       12079-73-1       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to skin, eyes and respiratory tract.    
   Primary Routes of Exposure:       Ingestion, inhalation, skin, eyes    
   Eye Contact:       Causes slight or mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information is available on the physiological effects of ingestion    
   Acute Health Affects:       Irritating to skin, eyes and respiratory tract.    
   Chronic Health Affects:       No information available on long-term chronic effects.    
   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 in
   Inhalation:
   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:       no data    
   Autoignition Temperature:       no data    
   Explosion Limits:       no data    
   Extinguishing Medium:       carbon dioxide, dry chemical or foam    
   If this product is involved in a fire, firefighters should be equipped with 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 irritating rhenium oxide fumes.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Small spills can be mixed with sodium carbonate or vermiculite and swept up.    

SECTION 7: Handling and Storage
   Handling and Storage:       Store in a cool, dry well-ventilated area away from heat and direct sunlight. Keep containers tightly sealed.    

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:       This product should be handled in an efficient fume hood.    
   If ventilation is not available a respirator should be worn. The use of respirators requires a Respiratory
   Respirator:
   Protection Program to be in compliance with 29 CFR 1910.134.
   Ventilation:       This product should be handled in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       white xtl    
   Molecular Weight:       335.33    
   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 and moisture stable    
   Hazardous Polymerization:       no hazardous polymerization.    
   Conditions to Avoid:       none    
   Incompatibility:       oxidizing agents, halogens and active metals.    
   Decomposition Products:       carbon dioxide, carbon monoxide, organic fumes and rhenium oxide    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in RTECS.    
   Carcinogenic Effects:       no data    
   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 not listed.    
   Second Ingredient:       none    


SECTION 16 - ADDITIONAL INFORMATION
N/A

环戊二烯三羰基铼 分子结构与计算化学数据

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:335.979469 Da

8、标称质量:336 Da

9、平均质量:335.3305 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:3

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3

7.重原子数量:12

8.表面电荷:0

9.复杂度:21.6

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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