5-溴化铌 98

5-溴化铌 98 基本信息
CAS号 13478-45-0 分子式 Br5Nb
分子量 492.42600 精确质量  487.49800
PSA  0.00000 LogP  4.22800

基本信息 展开↓

CAS号:
13478-45-0
3D弹球模型:
立即前往扯扯看
分子式:
Br5Nb
分子量:
492.42600
中文名称:
5-溴化铌 98
英文名称:
NIOBIUM BROMIDE
中文别名:
5-溴化铌 98;
5-溴化铌
英文别名:
NIOBIUM BROMIDE;
oleoyl diethanolamide;
DSSTox_CID_6563;
oleic acid diethanolamide;
oleic diethanolamide;
niobium pentabromide;
niobium fluoride;
Oleic acid diethanolamine condensate;
niobium pentafluoride
精确分子量/精确质量:
487.49800
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。
EINECS:
236-778-5
InChI:
The Key: DSYRJFDOOSKABR-UHFFFAOYSA-I

生产制备方法及用途展开↓

合成制备方法


先装配成如图V-3所示的装置。

                 图V-3 五溴化铌的合成装置

1--辅助接受管;2--产物;3--外热器;4--Br2;5--N2

其中高温加热部分可采用高硼硅酸耐热玻璃或石英玻璃,而硼硅酸玻璃部分则用磨口连接。如不处于反应产物沸点以上的温度,则会堵塞系统,故其通路可用卷成螺旋形的加热器或将镍铬丝缠在石棉上进行加热。另用倒立的1L锥形烧瓶当作旋风分离器,将上述加热器的端部与该烧瓶熔接起来。而在旋风分离器的下端,则与当作接受器用的磨口圆底烧瓶相接。接受器的磨口最好不涂润滑脂,故应采用不涂润滑脂磨口或采用聚四氟乙烯套管为宜。按图的方式组装后,将金属铌粉放入反应管中并使其位于加热部位,如有必要也可用试料舟。反应管用氮气或氩气充满后,在通风柜中将溴充入分液漏斗里,出口的加热器升温至产物沸点以上后,装上分液漏斗,此时再用氮气(或氩气)预先清洗系统内部,将溴滴入捕集器至一半左右。使氮气流量为500~600mL/min,并将溴气导入金属铌上。由于溴的气化热使捕集器冷却,故可在敞口烧杯中用温水进行加热。如捕集器中溴量减少,则可从分液漏斗中再次加入。重复进行此操作,直至溴用完为止,然后用氮气逐出剩余的溴,将接受器迅速卸下并加塞。

物化性质展开↓

熔点:
150ºC
沸点:
361,6ºC
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。在水中发生分解。

其它信息:

1.       性状:紫蓝色的结晶。

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):150

5.       沸点(ºC,常压):270

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:在水中发生分解。

安全信息展开↓

包装等级:
III
危险类别码:
R20/21/22
安全说明:
26-27-28-36/37/39-45
危险标志:
C: Corrosive;

合成路线查看所有的合成路线

  • 10026-12-7

    五氯化铌

  • +

  • 75-26-3

    溴代异丙烷

  • ~76%

  • 13478-45-0

    5-溴化铌 98

  • 7783-68-8

    氟化铌(V)

  • +

  • 7789-60-8

    三溴化磷

  • 13478-45-0

    5-溴化铌 98

  • 52757-79-6

    niobium pentabromide*diethyl sulfide

  • 352-93-2

    乙硫醚

  • +

  • 13478-45-0

    5-溴化铌 98

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:       Niobium (V) bromide (99.9%-Nb)    
   CAS Registry Number:       13478-45-0    
   Formula:       NbBr5    
   EINECS Number:       236-778-5    
   Chemical Family:       metal halide    
   Synonym:       Niobium pentabromide, Columbium pentabromide    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       13478-45-0       100%       no data       no data    

Section 3: Hazards Identification
   With moisture, this material becomes a strong, corrosive acid. The liquid and its vapor are extremely corrosive
   Emergency Overview:
   to skin, eyes, mucous membranes and respiratory tract.
   Primary Routes of Exposure:       Ingestion, inhalation, eyes and skin    
   Eye Contact:       Severe corrosive to the eyes. Exposure can lead to permanent eye damage.    
   Skin Contact:       Corrosive to skin. Contact can lead to redness, pain, blistering, ulceration, and scar formation.    
   Material releases corrosive fumes. Severe burning of the mucous membranes and lungs. Pulmonary edema
   Inhalation:
   may occur.
   Product is a highly corrosive acid. Ingestion may cause pain, vomiting, burns of mouth and throat, and
   Ingestion:
   ulceration of gastrointestinal tract.
   Acute Health Affects:       Severe corrosive to eyes, skin, mucous membranes and respiratory tract. Ingestion may be fatal.    
   Repeated or prolonged exposure to bromides by any route may cause skin rashes (bromaderma) and central
   Chronic Health Affects:
   nervous system depression, including ataxia, psychoses, memory loss, irritability, and headache.
   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       none    
   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 container away from moisture. Handle in a fume hood under a dry atmosphere of
   Handling and Storage:
   air or nitrogen. Prolonged exposure to the atmosphere may degrade 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:       -100 mesh reddish-brown pwdr.    
   Molecular Weight:       492.49    
   Melting Point:       150°    
   Boiling Point:       361.6°C    
   Vapor Pressure:       no data    
   Specific Gravity:       no data    
   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:       water, mineral acids and active metals    
   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):       Corrosive solids, N.O.S.    
   Hazard Class (CFR):       8    
   Additional Hazard Class (CFR):       NA    
   Packaging Group (CFR):       I    
   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):       I    
   UN ID Number (IATA):       UN# 1759    

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↓

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):无可用

2、   氢键供体数量:0

3、   氢键受体数量:5

4、   可旋转化学键数量:0

5、   拓扑分子极性表面积(TPSA):0

6、   重原子数量:6

7、   表面电荷:0

8、   复杂度:0

9、   同位素原子数量:0

10、   确定原子立构中心数量:0

11、   不确定原子立构中心数量:0

12、   确定化学键立构中心数量:0

13、   不确定化学键立构中心数量:0

14、   共价键单元数量:6

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