溴化钛(IV)

溴化钛(IV) 基本信息
CAS号 7789-68-6 分子式 Br4Ti
分子量 367.48300 精确质量  363.62100
PSA  0.00000 LogP  3.38240

基本信息 展开↓

CAS号:
7789-68-6
3D弹球模型:
立即前往扯扯看
分子式:
Br4Ti
分子量:
367.48300
中文名称:
溴化钛(IV)
英文名称:
Titanium(IV) bromide
中文别名:
溴化钛(IV);
四溴化钛;
溴化钛
英文别名:
Titanium(IV) bromide;
TITANIUM(IV) BROMIDE
精确分子量/精确质量:
363.62100
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:
MFCD00011265
EINECS:
232-185-0
PubChem:
24868637
InChI:
The Key: UBZYKBZMAMTNKW-UHFFFAOYSA-J

生产制备方法及用途展开↓

合成制备方法


洗气瓶1、2中分别装入浓硫酸及干燥的溴。硼硅酸玻璃管3可用电炉加热,在反应管端连有蒸馏瓶5。在5的上部有一凹进瓶颈的玻璃管7,7中盛有蒸馏精制时测量用的汞。

                                                          图IV-5 四溴化钛的制备装置

 称取40g二氧化钛及24g糖炭充分混合后,放入反应管3中。将电炉加热至300℃后,先通入二氧化碳,使全部装置系统充分干燥。在4处如果有水冷凝,可时时用火焰烘烤以逐出水分,6处连接干燥管,使二氧化碳经洗气瓶2导入,使电炉温度升至600℃。由于在4处有四溴化钛析出,所以应经常用火焰加热使析出物熔融,并流入烧瓶5中。反应结束后,用二氧化碳气流将过剩的溴逐出,取下6处的干燥管,使5与带有冷却器的容器相接,从4处切断熔封。加热5,收集230℃左右的馏分。收率为80%左右。

物化性质展开↓

外观与性状:
棕色晶体
密度:
3.25 g/mL at 25ºC(lit.)
熔点:
38-40ºC(lit.)
沸点:
230ºC(lit.)
闪点:
233ºC
存储条件/存储方法:

保持贮藏器密封

放入紧密的贮藏器内,储存在阴凉,干燥的地方

稳定性相关:

如果遵照规格使用和储存则不会分解

避免接触氧化物。

四溴化钛有两种变体,α变体低于-15℃稳定,β变体高于-15℃稳定。有潮解性,遇水分解,可溶于乙醇、乙醚。

其它信息:

1.      性状:橙黄色粉末,立方晶系结构

2.      密度(g/mL 25ºC):2.6

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):39

5.      沸点(ºC,常压):230

6.      沸点(ºC,5.2kPa):未确定

7.      折射率(n20/D):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(25℃):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(mg/mL):溶于水,但易水

安全信息展开↓

包装等级:
II
危险类别码:
R14
安全说明:
26-36/37/39-45
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;

合成路线查看所有的合成路线

  • 7789-60-8

    三溴化磷

  • +

  • 7550-45-0

    四氯化钛

  • 7789-68-6

    溴化钛(IV)

  • +

  • 7719-12-2

    三氯化磷

  • 4151-77-3

    dibromo(phenyl)borane

  • +

  • 7783-63-3

    四氟化钛

  • 368-98-9

    difluorophenyl-Borane

  • +

  • 7789-68-6

    溴化钛(IV)

  • 5123-17-1

    Ph2BBr

  • +

  • 7783-63-3

    四氟化钛

  • 36140-35-9

    (diphenyl)fluoroborane

  • +

  • 7789-68-6

    溴化钛(IV)

毒理性展开↓

生态数据:

对水是稍微危害的,若无政府许可,勿将材料排入周围环境

MSDS 展开↓


Section 1: Product Identification
   Chemical Name:       Titanium (IV) bromide, min. 98%    
   CAS Registry Number:       7789-68-6    
   Formula:       TiBr4    
   EINECS Number:       232-185-0    
   Chemical Family:       metal halide    
   Synonym:       Titanium tetrabromide    

Section 2: Composition and Information on Ingredients
   Ingredient       CAS Number       Percent       ACGIH (TWA)       OSHA (PEL)    
   Title Compound       7789-68-6       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, causing burns 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:       orange xtl.    
   Molecular Weight:       367.54    
   Melting Point:       39°    
   Boiling Point:       230°C    
   Vapor Pressure:       no data    
   Specific Gravity:       2.6    
   Odor:       pungent odor    
   Solubility in Water:       decomposes    

SECTION 10: Stability and Reactivity
   Stability:       moisture sensitive    
   Hazardous Polymerization:       no hazardous polymerization    
   Conditions to Avoid:       contact with moisture    
   Incompatibility:       water, alcohols, oxidizing agents, oxygen 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):       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↓

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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