三(环戊二烯基)铥(III)

三(环戊二烯基)铥(III) 基本信息
CAS号 1272-26-0 分子式 C15H15Tm
分子量 364.21400 精确质量  364.05200
PSA  0.00000 LogP  3.06450

基本信息 展开↓

CAS号:
1272-26-0
分子式:
C15H15Tm
分子量:
364.21400
中文名称:
三(环戊二烯基)铥(III)
英文名称:
TRIS(CYCLOPENTADIENYL)THULIUM
中文别名:
三(环戊二烯基)铥(III);
三(环戊二烯)化铥(III);
三(环戊二烯)铥(III);
三(氰基式二烯基)铥
英文别名:
TRIS(CYCLOPENTADIENYL)THULIUM;
Thulium tricyclopentadienide;
Tricyclopentadienyl thulium
精确分子量/精确质量:
364.05200
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:
MFCD01631285
EINECS:
215-052-1
PubChem:
24879363
InChI:
InChI=1/3C5H5.Tm/c3*1-2-4-5-3-1;/h3*1-5H;/q3*-1;+3

物化性质展开↓

熔点:
248-249ºC (dec.)(lit.)
沸点:
41.5ºC at 760 mmHg
蒸汽压:
418mmHg at 25°C
存储条件/存储方法:

保持贮藏器密封、储存在阴凉、干燥的地方,确保工作间有良好的通风或排气装置

稳定性相关:

如果遵照规格使用和储存则不会分解,未有已知危险反应,避免氧化物

其它信息:

1.       性状:粉末

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):248-249

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,2.5mmHg):未确定

7.       折射率(n20/D未确定

8.       闪点(ºF):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(mmHg,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:与水反应

安全信息展开↓

包装等级:
III
风险类别:
4.1
危险类别码:
R11
安全说明:
43-7/8
危险标志:
F: Flammable;

毒理性展开↓

生态数据:

对是水稍微有危害的不要让未稀释或大量的产品接触地下水、水道或者污水系统,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:       Tris(cyclopentadienyl)thulium(99.9%-Tm) (REO)    
   CAS Registry Number:       1272-26-0    
   Formula:       (C5H5)3Tm    
   EINECS Number:       215-052-1    
   Chemical Family:       metallocene    
   Synonym:       Tris(eta5-2,4-cyclopentadien-1-yl)thulium    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       1272-26-0       100%       no data       no data    

Section 3: Hazards Identification
   Emergency Overview:       Irritating to the respiratory tract, skin and eyes. May be harmful if swallowed.    
   Primary Routes of Exposure:       Ingestion, eyes    
   Eye Contact:       Causes slight to mild irritation of the eyes.    
   Skin Contact:       Causes slight to mild irritation of the skin.    
   Inhalation:       Irritating to skin, eyes and respiratory tract.    
   Ingestion:       No information on the 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:       none    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       carbon dioxide, foam or dry powder.    
   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 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 vermiculite or sodium carbonate and swept up.    

SECTION 7: Handling and Storage
   Store in a tightly sealed container under an inert atmsphere of nitrogen or argon. Keep in a cool, dry area
   Handling and Storage:
   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 appropriate chemical resistant gloves and protective clothing.    
   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 Respiratory
   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 solid    
   Molecular Weight:       364-22    
   Melting Point:       none    
   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, moisture sensitive    
   Hazardous Polymerization:       none    
   Conditions to Avoid:       exposure to air and moisture    
   Incompatibility:       strong oxidizing agents    
   Decomposition Products:       carbon dioxide, carbon monoxide, organic fumes and thulium oxide.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available from RTECS.    
   Carcinogenic Effects:       no data available    
   Mutagenic Effects:       no data available    
   Tetratogenic Effects:       no data available    

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:364.051575 Da

8、标称质量:364 Da

9、平均质量:364.2138 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0

7.重原子数量:16

8.表面电荷:0

9.复杂度:262

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:4

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