四氯化钨

四氯化钨 基本信息
CAS号 13470-13-8 分子式 Cl4W
分子量 325.65200 精确质量  323.82600
PSA  0.00000 LogP  2.75800

基本信息 展开↓

CAS号:
13470-13-8
3D弹球模型:
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分子式:
Cl4W
分子量:
325.65200
中文名称:
四氯化钨
英文名称:
tetrachlorotungsten
中文别名:
四氯化钨;
(2-Dimethylaminoethoxy)benzene;
BRN 1866238;
Ethanamine, N,N-dimethyl-2-phenoxy-;
N,N-Dimethyl-2-phenoxyethylamine;
alpha-Phenoxy-beta-dimethylaminoethane;
N,N-dimethyl-2-phenoxyethanamine;
Dimethyl(2-phenoxyethyl)amine;
3-Bromopyridin-2-ol;
3-Bromo-2-hydroxypyridine
英文别名:
tetrachlorotungsten;
Tungsten tetrachloride;
WCl4
精确分子量/精确质量:
323.82600
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:
MFCD00012027
PubChem:
24855897
InChI:
InChI=1/4ClH.W/h4*1H;/q;;;;+4/p-4

生产制备方法及用途展开↓

合成制备方法


1.在充入惰性气体的干燥箱中,将5g六氯化钨和聚四氟乙烯制的搅拌棒一起,从图Ⅵ9所示的装置4处放入6中,随后,熔封支管4。用干冰冷却6处,同时打开聚四氟乙烯制的旋塞从2抽气。用减压蒸馏的方图四氯化钨的合成装置法,将精制脱水的四氯乙烯从外面引入6处达30mL。恢复常温后,抽真空并将6处浸入透明的油浴中,用500W的灯泡照射,在150℃下反应3天。此时,为安全起见,反应装置可围以防护屏。反应结束后冷却,然后将装置倒立,通过玻璃过滤器3滤出产生的沉淀。若再次加热1处,由于有机溶剂进行回流,使沉淀上附着的未反应的六氯化钨被萃取下来,萃取液成无色后,停止加热。接着从2处抽气,并打开聚四氟乙烯制的旋塞,通过减压蒸馏,将有机溶剂完全逐出。在充入惰性气体的干燥箱中,将6处切断,取出玻璃过滤器上的生成物。在该生成物中,含有由于副反应生成的五氯化钨等杂质,故将其置于硬质玻璃管中,若在二氧化碳气流中加热,则氯化钨中最易挥发的五氯化钨将首先升华,再升高温度时,六氯化钨和二氯化钨也挥发出来,仅目的产物四氯化钨不升华而最终存留下来。收率为95%。

图VI-9  四氯化钨的合成装置

2.在直径30mm的硼硅酸玻璃管中,加入20~25g六氯化钨和计算量的铝箔(使六氯化钨过量1~2g)。然后,将反应管抽真空,并将其封闭,反应管在475℃下保温,装有六氯化钨的一端则保持在225℃。约48小时后反应结束。反应期间,生成物四氯化钨可扩散至管的低温端,并凝结出粗糙的结晶状沉积物。为了除去过量的六氯化钨和生成的氯化铝,将含有结晶粉末的管端在225℃下加热,另一端保持室温。然后,在干燥箱中打开反应管,取出四氯化钨。

物化性质展开↓

外观与性状:
黑色
密度:
4.624 g/cm3
存储条件/存储方法:

 

稳定性相关:

其吸湿性不如五氯化钨强,但遇水则水解。即使加热也不熔融和升华,但若在真空下强烈,熔点温度时分解,水中分解。

其它信息:

1.       性状:暗褐色的固体。

2.       密度(g/mL,25/4℃):4.62

3.       相对蒸汽密度(g/mL,空气=1):未确定

4.       熔点(ºC):未确定

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):不适用的

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:未确定

安全信息展开↓

包装等级:
III
危险类别码:
R34
安全说明:
S26
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。
S27:立刻除去所有污染衣物。
S28:接触皮肤之后,立即使用大量皂液洗涤。
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;

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Tungsten (IV) chloride, 97%    
   CAS Registry Number:       13470-13-8    
   Formula:       WCl4    
   EINECS Number:       none    
   Chemical Family:       metal halide    
   Synonym:       Tungsten tetrachloride    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       13470-13-8       100%       1mg/m3 (as W - soluble)       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 irritant to the eyes.    
   Skin Contact:       Corrosive to skin.    
   Inhalation:       Forms hydrogen chloride in the presence of moisture. Inhalation can lead to burning of the respiratory tract.    
   Ingestion:       No information is available on the acute physiological effects of ingestion.    
   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
   Inhalation:
   in 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:       not applicable    
   Autoignition Temperature:       none    
   Explosion Limits:       none    
   Extinguishing Medium:       None. Material is non-flammable.    
   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 toxic fumes of hydrogen chloride.    
   Decomposion Products:
   Unusual Fire or Explosion Hazards: No unusual fire or explosion hazards.

SECTION 6: Accidental Release Measures
   Small spills can be mixed with powdered sodium bicarbonate, lime, or calcium carbonate and swept up. Avoid
   Spill and Leak Procedures:
   raising dust.

SECTION 7: Handling and Storage
   Store solid in a tightly sealed bottle away from moisture. If possible, handle solid in an efficient fume hood.
   Handling and Storage:
   Prolonged exposure to the atmosphere will lead to degradation of the product.

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:       The solid may form corrosive vapors. It should be handled 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:       The solid may form corrosive vapors. It should be handled in an efficient fume hood.    
   Additional Protection:       No additional protection required.    

SECTION 9: Physical and Chemical Properties
   Color and Form:       gray pwdr.    
   Molecular Weight:       325.66    
   Melting Point:       no data    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       4.624    
   Odor:       pungent odor    
   Solubility in Water:       reacts with water    

SECTION 10: Stability and Reactivity
   Stability:       moisture sensitive    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       contact with moisture    
   Incompatibility:       active metals    
   Decomposition Products:       Tungsten oxychloride, hydrogen chloride    

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

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:323.826311 Da

8、标称质量:324 Da

9、平均质量:325.652 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:0

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:5

8.表面电荷:0

9.复杂度:19.1

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:1

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