五甲基环戊二烯基四氯化钽

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

五甲基环戊二烯基四氯化钽 基本信息

中文名称:
五甲基环戊二烯基四氯化钽 
中文别名:
五甲基环戊二烯基四氯化钽;
四氯化五甲基环戊二烯基钽(V) 
英文名称:
Tantalum,tetrachloro[(1,2,3,4,5-h)-1,2,3,4,5-pentamethyl-2,4-cyclopentadien-1-yl]-
英文别名:
Pentamethylcyclopentadienyltantalum tetrachloride;
carbanide,cyclopenta-1,3-diene,tantalum,tetrachloride 
CAS No.:
71414-47-6
分 子 式:
C10H15Cl4Ta
分 子 量:
457.99
精确分子量:
455.94100
PSA:
0.00000
MDL:
MFCD00070463
InChI:
InChI=1/C10H15.4ClH.Ta/c1-7-6-10(4,5)9(3)8(7)2;;;;;/h1-5H3;4*1H;/q;;;;;+4/p-4/rC10H15Ta.4ClH/c1-6-7(2)9(11)10(4,5)8(6)3;;;;/h1-5H3;4*1H/q+4;;;;/p-4
危险品标志:
风险术语:
R14;R34   
安全术语:
S26;S36/37/39;S45
分子结构式:
SDS:
查看

五甲基环戊二烯基四氯化钽 物化性质

熔点:
>300ºC
存储条件/存储方法:

存放在充有干爽惰性气体的容器内,并放在阴凉,干爽处。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。避免湿气和水分。远离氧化剂。

稳定性相关:

远离氧化物,水分

其它信息:

1.       性状:橙色粉末。

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):200

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:与水反应强烈。

五甲基环戊二烯基四氯化钽 安全信息

包装等级:
II
危险类别码:
R14;R34
安全说明:
S26-S36/37/39-S45
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。
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;

五甲基环戊二烯基四氯化钽 毒理性

生态数据:

对水稍微有危害的,不要让未稀释或者大量产品接触地下水,水道或者污水系统。若无政府许可,勿将材料排入周围环境。

五甲基环戊二烯基四氯化钽 MSDS


Section 1: Product Identification
   Chemical Name:       Pentamethylcyclopentadienyltantalum tetrachloride, 98%    
   CAS Registry Number:       71414-47-6    
   Formula:       [C5(CH3)5]TaCl4    
   EINECS Number:       none    
   Chemical Family:       metallocene    
   Synonym:       Tantalum tetrachloride, pentamethylcyclopentadienyl complex    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       71414-47-6       100%       no data       no data    

Section 3: Hazards Identification
   Corrosive to skin and eyes. Material hydrolyzes in contact with moisture releasing toxic and corrosive fumes
   Emergency Overview:
   of hydrogen chloride and aqueous hydrochloric acid.
   Primary Routes of Exposure:       Contact with skin and eyes. Inhalation of dust.    
   Eye Contact:       Corrosive to the eyes.    
   Skin Contact:       Causes chemical burns to the skin.    
   Inhalation:       Forms hydrogen chloride in the presence of moisture. Inhalation will lead to burning of the respiratory tract.    
   Ingestion:       If large amounts ingested, severe burns to the gastrointestinal tract may occur.    
   Corrosive to skin, eyes and respiratory tract. Causes eye and skin burns, dyspnea (difficulty breathing) and
   Acute Health Affects:
   pulmonary edema.
   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 powder or foam.    
   If involved in a fire, fire fighters should be equipped with NIOSH approved positive pressure self-contained
   Special Fire Fighting Procedures:
   breathing apparatus and full protective clothing.
   Hazardous Combustion and       If involved in a fire this material may release corrosive hydrogen chloride 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 powdered sodium bicarbonate, lime, or calcium carbonate and swept up.    

SECTION 7: Handling and Storage
   Handling and Storage:       Handle and store the 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. Consult with glove manufacturer to determine the proper type of glove.    
   Ventilation:       Material may emit corrosive fumes. 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 emit corrosive fumes. Handle the material in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       orange powder    
   Molecular Weight:       458    
   Melting Point:       220°    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       pungent odor    
   Solubility in Water:       reacts with water    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture sensitive    
   Hazardous Polymerization:       No hazardous polymerization.    
   Conditions to Avoid:       none    
   Incompatibility:       water and halogens    
   Decomposition Products:       carbon monoxide, carbon dioxide, tantalum oxide, chlorinated organics, organic fumes.    

SECTION 11: Toxicological Information
   RTECS Data:       No information available in the RTECS files.    
   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):       Corrosive solids, N.O.S.    
   Hazard Class (CFR):       8    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       II    
   UN ID Number (CFR):       UN# 1759    
   Shipping Name (IATA):       Corrosive solid, N.O.S.    
   Hazard Class (IATA):       8    
   Additional Hazard Class (IATA):       NA    
   Packaging Group (IATA):       II    
   UN ID Number (IATA):       UN# 1759    

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

五甲基环戊二烯基四氯化钽 分子结构与计算化学数据

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:10

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:15

8.表面电荷:-10

9.复杂度:72.9

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:11

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