三羰基五甲基环戊二烯基铼

三羰基五甲基环戊二烯基铼 基本信息
CAS号 12130-88-0 分子式 C13H15O3Re
分子量 405.46300 精确质量  406.05800
PSA  0.00000 LogP  2.34800

基本信息 展开↓

CAS号:
12130-88-0
3D弹球模型:
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分子式:
C13H15O3Re
分子量:
405.46300
中文名称:
三羰基五甲基环戊二烯基铼
英文名称:
Pentamethylcyclopentadienylrhenium tricarbonyl, min. 98%
中文别名:
三羰基五甲基环戊二烯基铼;
五甲基环戊二烯三羰基铼
英文别名:
Pentamethylcyclopentadienylrhenium tricarbonyl, min. 98%;
Pentamethylcyclopentadienylrhenium tricarbonyl,min.;
pentamethylcyclopentadienyltricarbonylrhenium;
PENTAMETHYLCYCLOPENTADIENYLRHENIUM TRICARBONYL
精确分子量/精确质量:
406.05800
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。
InChI:
The Key: ZVNYFRMASNPNMG-UHFFFAOYSA-N

物化性质展开↓

熔点:
149-151ºC
其它信息:

1.       性状:未确定

2.       密度(g/mL,25):未确定

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):149-151

5.       沸点(ºC,常压):未确定

6.       沸点(ºC1mmHg):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(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

安全信息展开↓

安全说明:
24/25

合成路线查看所有的合成路线

  • 14285-68-8

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  • ~94%

  • 12130-88-0

    三羰基五甲基环戊二烯基铼

  • 272437-37-3

    272437-37-3

  • +

  • 201230-82-2

    carbon monoxide

  • 12130-88-0

    三羰基五甲基环戊二烯基铼

  • 272437-32-8

    272437-32-8

  • +

  • 201230-82-2

    carbon monoxide

  • 12130-88-0

    三羰基五甲基环戊二烯基铼

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Pentamethylcyclopentadienylrhenium tricarbonyl, min. 98%    
   CAS Registry Number:       12130-88-0    
   Formula:       [(CH3)5C5]Re(CO)3    
   EINECS Number:       none    
   Chemical Family:       metal carbonyl complexes    
   Synonym:       Permethylcyclopentadienylrhenium tricarbonyl    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       12130-88-0       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:       off-white powder    
   Molecular Weight:       405.46    
   Melting Point:       149-151°    
   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

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:406.057719 Da

8、标称质量:406 Da

9、平均质量:405.4634 Da

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