二硅化钽

二硅化钽 基本信息
CAS号 12039-79-1 分子式 Si2Ta
分子量 237.11900 精确质量  236.90200
PSA  0.00000 LogP  -0.76160

基本信息 展开↓

CAS号:
12039-79-1
3D弹球模型:
立即前往扯扯看
分子式:
Si2Ta
分子量:
237.11900
中文名称:
二硅化钽
英文名称:
Tantalum disilicide
中文别名:
二硅化钽;
二矽化钽
英文别名:
Tantalum disilicide;
bis(λ2-silanylidene)tantalum
精确分子量/精确质量:
236.90200
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:
MFCD00049564
EINECS:
234-902-2
InChI:
The Key: MANYRMJQFFSZKJ-UHFFFAOYSA-N

生产制备方法及用途展开↓

制备方法


1.以金属钽和硅粉为原料,将金属钽和硅粉进行粉碎并混合均匀,再将其放入石墨炉内加热至1100~1500℃进行预反应,然后通入氢气,再升温至800℃进行反应,即得硅化钽。或者用氢化钙还原五氧化二钽得到氢化钽,再加热至1800℃得金属钽,然后加入硅粉合成得硅化钽。2.将Si和Ta混合物先预热至350℃,然后升温至1480℃,加热反应。或令TaS2与SiHnX4-n在900℃下反应制得。3.直接法 以金属钽和硅粉为原料制备硅化钽,反应式如下。首先将金属钽和硅粉进行粉碎并混合均匀,再将其放入石墨炉内加热至1100~1500℃进行预反应,然后通入氢气,再升温至1800.℃进行均化反应1h,即得硅化钽。4.五氧化二钽还原法 首先用氢化钙还原五氧化二钽得到氢化钽,再加热至1800℃得金属钽,然后加入硅粉合成得硅化钽。

合成制备方法


1.以金属钽和硅粉为原料,将金属钽和硅粉进行粉碎并混合均匀,再将其放入石墨炉内加热至1100~1500℃进行预反应,然后通入氢气,再升温至800℃进行反应,即得硅化钽。或者用氢化钙还原五氧化二钽得到氢化钽,再加热至1800℃得金属钽,然后加入硅粉合成得硅化钽。

2.将Si和Ta混合物先预热至350℃,然后升温至1480℃,加热反应。或令TaS2与SiHnX4-n在900℃下反应制得。

3.直接法 以金属钽和硅粉为原料制备硅化钽,反应式如下。
首先将金属钽和硅粉进行粉碎并混合均匀,再将其放入石墨炉内加热至
1100~1500℃进行预反应,然后通入氢气,再升温至1800.℃进行均化反应1h,即得硅化钽。

4.五氧化二钽还原法 首先用氢化钙还原五氧化二钽得到氢化钽,再加热至1800℃得金属钽,然后加入硅粉合成得硅化钽。

用途简介


本品主要可用作精细陶瓷原料粉。

用途


用作精细陶瓷原料粉。

用于陶瓷工业以及电接触器和半导体设备。

物化性质展开↓

密度:
9.14
熔点:
2200ºC
其它信息:

1.       性状:为暗灰色立方结晶粉末

2.       密度(g/mL,25℃):9.14

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):2200

5.       沸点(ºC,常压):未确定

6.       沸点(ºC,1mmHg):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

20.晶格常数:a=0.4778nm,c=0.6558nm

21.显微硬度(kg·mm-2):1407

22.弹性模量(kg·K-1):30230

23.导电率(Ω·cm-1):1.23×10-5

24.比热容(J/(g·℃)):0.33


安全信息展开↓

安全说明:
S22

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Tantalum silicide (99.5%-Ta)    
   CAS Registry Number:       12039-79-1    
   Formula:       TaSi2    
   EINECS Number:       234-902-2    
   Chemical Family:       metal silicide    
   Synonym:       Tantalum disilicide    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       12039-79-1       100%       10mg/m3(Ta)       5mg/m3(Ta)    

Section 3: Hazards Identification
   Emergency Overview:       May be irritating to skin, eyes and mucous membranes.    
   Primary Routes of Exposure:       Ingestion, inhalation.    
   Eye Contact:       May cause slight to mild irritation of the eyes.    
   Skin Contact:       May cause slight to mild irritation of the skin.    
   Inhalation:       Do not breathe dust. Dust may be irritating to the nose, mucous membranes and respiratory tract.    
   Ingestion:       No information is available on the physiological effects of ingestion.    
   Acute Health Affects:       Dust may be irritating to the nose, mucous membranes 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:       dry chemical, carbon dioxide, or foam.    
   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 irritating dusts.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazard.

SECTION 6: Accidental Release Measures
   Spill and Leak Procedures:       Sweep up the material and dispose of properly.    

SECTION 7: Handling and Storage
   Handling and Storage:       Store the material in a sealed container.    

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 in form of fine dust and ventilation is not available a respirator should be worn. The use of respirators
   Respirator:
   requires a 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:       -325 mesh gray pwdr. (avg. 10 microns or less)    
   Molecular Weight:       237.12    
   Melting Point:       2200°    
   Boiling Point:       no data    
   Vapor Pressure:       not applicable    
   Specific Gravity:       9.14    
   Odor:       none    
   Solubility in Water:       insoluble    

SECTION 10: Stability and Reactivity
   Stability:       air and moisture stable    
   Hazardous Polymerization:       No hazardous polymerization.    
   Conditions to Avoid:       formation of a fine dust    
   Incompatibility:       mineral acids    
   Decomposition Products:       none    

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):       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:       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↓

计算化学数据


1、   氢键供体数量:0

2、   氢键受体数量:0

3、   可旋转化学键数量:0

4、   拓扑分子极性表面积(TPSA):0

5、   重原子数量:3

6、   表面电荷:0

7、   复杂度:18.3

8、   同位素原子数量:0

9、   确定原子立构中心数量: 0

10、   不确定原子立构中心数量:0

11、   确定化学键立构中心数量:0

12、   不确定化学键立构中心数量:0

13、   共价键单元数量:1

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