氯化鉬

氯化鉬 基本信息
CAS号 13814-75-0 分子式 Cl4MoO
分子量 253.77100 精确质量  253.77600
PSA  17.07000 LogP  2.63920

基本信息 展开↓

CAS号:
13814-75-0
3D弹球模型:
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分子式:
Cl4MoO
分子量:
253.77100
中文名称:
氯化鉬
英文名称:
MOLYBDENUM (VI) TETRACHLORIDE OXIDE
中文别名:
氯化鉬;
四氯氧化钼
英文别名:
MOLYBDENUM (VI) TETRACHLORIDE OXIDE;
oxidomolybdenum tetrachloride;
MOLYBDENUM OXYTETRACHLORIDE;
Molybdenumtetrachlorideoxidemingreenpowder;
molybdenium oxytetrachloride;
tetrachloride(oxo)molybdenum(VI);
Molybdenum (VI) tetrachloride oxide,Cl;
Molybdenum tetrachloride oxide;
MOLYBDENUM(VI) OXYCHLORIDE;
Molybdenum(VI) tetrachloride oxide,min.;
molybdenium(VI) oxotetrachloride;
molybdenyl(VI) chloride;
molybdenum oxotetrachloride
精确分子量/精确质量:
253.77600
极性分子表面积/PSA:
17.07000
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:
MFCD00014222
PubChem:
24863256
InChI:
InChI=1/4ClH.Mo.O/h4*1H;;/q;;;;+4;/p-4/rCl4MoO/c1-5(2,3,4)6

生产制备方法及用途展开↓

制备方法


由三氧化钼和炭的混合物与氯气反应制得本品。用内径27mm、长度600mm的石英玻璃制的反应管,其一端磨口连接硼硅酸玻璃制的产物捕集管。将10g三氧化钼与摩尔比为3倍的炭混合而成的试样放入小舟中,并插入反应管的中央。反应管内的空气用稀有气体置换。将试样处升温并保持于600℃。然后以约100mL/min的流量通入干燥氯气,则在室温下的产物捕集管中,析出四氯氧化钼MoOCl4的暗绿色结晶。此时必须注意控制通入氯气的流量,若氯气的流量过大,则生成五氯化钼。排出的气体导入氯气吸收瓶,使其完全被吸收。反应结束后冷却,用稀有气体置换氯气,卸下磨口处,取出四氯氧化钼。必须十分注意,四氯氧化钼切不可与湿气接触,应在稀有气体中进行处理。此外,用亚硫酰氯对三氧化钼进行氯化,也可制得四氯氧化钼

合成制备方法


由三氧化钼和炭的混合物与氯气反应制得本品。用内径27mm、长度600mm的石英玻璃制的反应管,其一端磨口连接硼硅酸玻璃制的产物捕集管。将10g三氧化钼与摩尔比为3倍的炭混合而成的试样放入小舟中,并插入反应管的中央。反应管内的空气用稀有气体置换。将试样处升温并保持于600℃。然后以约100mL/min的流量通入干燥氯气,则在室温下的产物捕集管中,析出四氯氧化钼MoOCl4的暗绿色结晶。此时必须注意控制通入氯气的流量,若氯气的流量过大,则生成五氯化钼。排出的气体导入氯气吸收瓶,使其完全被吸收。反应结束后冷却,用稀有气体置换氯气,卸下磨口处,取出四氯氧化钼。必须十分注意,四氯氧化钼切不可与湿气接触,应在稀有气体中进行处理。

此外,用亚硫酰氯对三氧化钼进行氯化,也可制得四氯氧化钼

用途简介


物化性质展开↓

熔点:
100-101ºC
存储条件/存储方法:

 

 密闭于阴凉干燥环境中

稳定性相关:

遵照规定使用和储存则不会分解。空气中的微量水分也可引起分解。加热时,约从80℃起开始升华,在蒸发的同时,其中的一部分将放出氯气而分解。四氯一氧化钼具有光敏性。

其它信息:

1.       性状:暗绿色的结晶。

2.       密度(g/mL,25/4℃):无可用

3.       相对蒸汽密度(g/mL,空气=1):无可用

4.       熔点(ºC):97

5.       沸点(ºC,常压):无可用

6.       沸点(ºC,5.2kPa):无可用

7.       折射率:无可用

8.       闪点(ºC):无可用

9.       比旋光度(º):无可用

10.    自燃点或引燃温度(ºC):无可用

11.    蒸气压(kPa,25ºC):无可用

12.    饱和蒸气压(kPa,60ºC):无可用

13.    燃烧热(KJ/mol):无可用

14.    临界温度(ºC):无可用

15.    临界压力(KPa):无可用

16.    油水(辛醇/水)分配系数的对数值:无可用

17.    爆炸上限(%,V/V):无可用

18.    爆炸下限(%,V/V):无可用

19.    溶解性:无可用

安全信息展开↓

危险类别码:
36/37/38
安全说明:
26-37/39
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。
:
危险标志:
Xi: Irritant;

毒理性展开↓

生态数据:

 

该物质对环境可能有危害,对水体应给予特别注意。

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Molybdenum (VI) tetrachlorideoxide, min. 97%    
   CAS Registry Number:       13814-75-0    
   Formula:       MoOCl4    
   EINECS Number:       none    
   Chemical Family:       metal oxyhalide    
   Synonym:       Molybdenum oxychloride, tetrachloromolybdenum oxide.    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title compound       13814-75-0       100%       10mg/m3( as Mo)       5mg/m3 (as Mo)    

Section 3: Hazards Identification
   Corrosive to skin and eyes. Material hydrolyzes in contact with moisture releasing toxic and corrosive fumes of
   Emergency Overview:
   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 burns to the skin.    
   Inhalation:       Forms hydrogen chloride in the presence of moisture. Inhalation leads 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 and causes eye, skin burns, dyspnea (breathing difficulty), 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
   Small spills can be neutralized with powdered sodium bicarbonate, lime, or calcium carbonate and swept up.
   Spill and Leak Procedures:       Large spills in areas not adequately ventilated will require an evacuation of site. Emergency response teams    
   will require self-contained breathing apparatus.

SECTION 7: Handling and Storage
   Store in a tightly sealed container. Keep away from heat, moisture and direct sunlight. Handle and store under
   Handling and Storage:
   a dry 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.    
   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:       green powder    
   Molecular Weight:       253.78    
   Melting Point:       100-101°    
   Boiling Point:       no data    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   Odor:       pungent odor    
   Solubility in Water:       soluble    

SECTION 10: Stability and Reactivity
   Stability:       air sensitive, moisture sensitive (store cold)    
   Hazardous Polymerization:       No hazardous polymerization.    
   Conditions to Avoid:       contact with air and moisture    
   Incompatibility:       active metals, water, alcohols, reducing agents.    
   Decomposition Products:       molybdenum oxides, chlorine and 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

2、   摩尔体积(cm3/mol):无可用       

3、   等张比容(90.2K):无可用

4、   表面张力(dyne/cm):无可用

5、   极化率:无可用

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:4

3.氢键受体数量:1

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17.1

7.重原子数量:6

8.表面电荷:0

9.复杂度:7.5

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:5

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