二水合溴化钡

二水合溴化钡 基本信息
CAS号 7791-28-8 分子式 BaBr2H4O2
分子量 333.16600 精确质量  331.76300
PSA  18.46000 LogP  1.56260

基本信息 展开↓

CAS号:
7791-28-8
分子式:
BaBr2H4O2
分子量:
333.16600
中文名称:
二水合溴化钡
英文名称:
Barium Bromide Dihydrate, Puratronic
中文别名:
二水合溴化钡;
溴化钡二水
英文别名:
Barium Bromide Dihydrate, Puratronic;
barium(2+),dibromide,dihydrate
精确分子量/精确质量:
331.76300
极性分子表面积/PSA:
18.46000
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:
MFCD00149153
EINECS:
234-140-0

生产制备方法及用途展开↓

制备方法


在搅拌下将试剂氢溴酸慢慢加到纯氢氧化钡饱和溶液中,反应生成溴化钡。当溶液pH=8-9时,停止加酸并保温8h,静置后,滤去不溶物,滤液蒸发浓缩,冷却结晶。吸滤后将结晶在30-40oC干燥即可。

合成制备方法


在搅拌下将试剂氢溴酸慢慢加到纯氢氧化钡饱和溶液中,反应生成溴化钡。当溶液pH=8-9时,停止加酸并保温8h,静置后,滤去不溶物,滤液蒸发浓缩,冷却结晶。吸滤后将结晶在30-40ºC干燥即可。

用途简介


用作分析试剂,也用以制备溴化物。

用途


 用作分析试剂,也用以制备溴化物。

物化性质展开↓

外观与性状:
白色结晶粉末
密度:
3.58
存储条件/存储方法:

1.干性的保护气体下处置,

2.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:

1.如果遵照规格使用和储存则不会分解

2.避免接触酸,空气,水分/潮湿。溶于水和醇。有毒。有强吸湿性。在100g水中的溶解度为151g(20℃),204g(100℃)。加热结晶时75℃时就失去1分子的结晶水,在150℃时转变为无水物。

其它信息:

1.      性状:无色板状结晶,属单斜晶系。

2.      密度(g/mL 25ºC):3.58

3.      相对蒸汽密度(g/mL,空气=1):未确定

4.      熔点(ºC):880

5.      沸点(ºC,常压):未确定

6.      沸点(ºC,5.2kPa):未确定

7.      折射率(n20/D):1.713

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) :易溶于水、甲醇。溶于乙醇。不溶于丙酮、醋酸乙酯、二噁烷

安全信息展开↓

包装等级:
III
风险类别:
6.1
危险类别码:
R20/22
安全说明:
S28A-S28
安全标志:
S28:接触皮肤之后,立即使用大量皂液洗涤。
危险标志:
Xn

化学图谱

  1. 溴化钡,二水红外图谱(IR1)

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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↓

Name: Barium bromide dihydrate 99% Material Safety Data Sheet
Synonym: Barium dibromide dihydrate
CAS: 7791-28-8
Section 1 - Chemical Product   MSDS Name:Barium bromide dihydrate 99% Material Safety Data Sheet
Synonym:Barium dibromide dihydrate

Section 2 - COMPOSITION, INFORMATION ON INGREDIENTS
CAS# Chemical Name content EINECS#
7791-28-8 Barium bromide dihydrate 99 unlisted
Hazard Symbols: XN
Risk Phrases: 20/22

Section 3 - HAZARDS IDENTIFICATION
  EMERGENCY OVERVIEW
Harmful by inhalation and if swallowed.Hygroscopic (absorbs moisture from the air).
Potential Health Effects
Eye:
May cause eye irritation.
Skin:
May cause skin irritation.
Ingestion:
May cause kidney, liver and spleen damage. The barium ion is a muscle poison causing stimulation and then paralysis. Initial symptoms are gastrointestinal, including nausea, vomiting, colic, and diarrhea, followed by myocardial and general muscular stimulation with tingling in the extremities. The barium ion is a muscle poison causing stimulation and then paralysis. Initial symptoms are gastrointestinal, including nausea, vomiting, colic, and diarrhea, followed by myocardial and general muscular stimulation with tingling in the extremities. The barium ion is a muscle poison causing stimulation and then paralysis. Initial symptoms are gastrointestinal, including nausea, vomiting, colic, and diarrhea, followed by myocardial and general muscular stimulation with tingling in the extremities.
Inhalation:
Harmful if inhaled. The toxicological properties of this substance have not been fully investigated. Inhalation of dust may cause respiratory tract irritation. Inhalation at high concentrations may cause CNS depression and asphixiation.
Chronic:
Inhalation at high concentrations may cause CNS depression and asphixiation.

Section 4 - FIRST AID MEASURES
  Eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid.
Skin:
Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Wash clothing before reuse.
Ingestion:
Never give anything by mouth to an unconscious person. Get medical aid. Do NOT induce vomiting. If conscious and alert, rinse mouth and drink 2-4 cupfuls of milk or water.
Inhalation:
Remove from exposure and move to fresh air immediately. If breathing is difficult, give oxygen. Get medical aid. Do NOT use mouth-to-mouth resuscitation. If breathing has ceased apply artificial respiration using oxygen and a suitable mechanical device such as a bag and a mask.
Notes to Physician:
Institute cardiac monitoring for all significant ingestions of soluble barium salts. Institute cardiac monitoring for all significant ingestions of soluble barium salts.

Section 5 - FIRE FIGHTING MEASURES
  General Information:
As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion. Substance is noncombustible.
Extinguishing Media:
Substance is noncombustible; use agent most appropriate to extinguish surrounding fire.

Section 6 - ACCIDENTAL RELEASE MEASURES
  General Information: Use proper personal protective equipment as indicated in Section 8.
Spills/Leaks:
Vacuum or sweep up material and place into a suitable disposal container. Wash area with soap and water. Clean up spills immediately, observing precautions in the Protective Equipment section. Avoid generating dusty conditions. Provide ventilation.

Section 7 - HANDLING and STORAGE
  Handling:
Wash thoroughly after handling. Use with adequate ventilation.
Minimize dust generation and accumulation. Avoid contact with eyes, skin, and clothing. Keep container tightly closed. Avoid ingestion and inhalation.
Storage:
Store in a cool, dry place. Store in a tightly closed container.
Store protected from moisture.

Section 8 - EXPOSURE CONTROLS, PERSONAL PROTECTION
  Engineering Controls:
Facilities storing or utilizing this material should be equipped with an eyewash facility and a safety shower. Use adequate general or local exhaust ventilation to keep airborne concentrations below the permissible exposure limits.
Exposure Limits CAS# 7791-28-8: United Kingdom, WEL - TWA: (listed as barium, soluble compounds): mg/m3 TWA (as Ba) United Kingdom, WEL - STEL: (listed as barium, soluble compounds) 1.5 mg/m3 STEL (as Ba) United States OSHA: 0.5 mg/m3 TWA (listed under Barium).0.5 mg/m TWA (as Ba) (listed under Barium, soluble compounds).
Belgium - TWA: (listed as barium, soluble compounds): 0.5 mg/m3 V (as Ba) France - VME: (listed as barium, soluble compounds): 0.5 mg/m3 VM (as Ba) Germany: (listed as barium, soluble compounds): 0.5 mg/m3 VME (as Malaysia: (listed as barium, soluble compounds): 0.5 mg/m3 TWA (a Ba) Netherlands: (listed as barium, soluble compounds): 0.5 mg/m3 MAC Ba) Spain: (listed as barium, soluble compounds): 0.5 mg/m3 VLA-ED (a Ba) CAS# 10553-31-8: United Kingdom, WEL - TWA: (listed as barium, soluble compounds): mg/m3 TWA (as Ba) United Kingdom, WEL - STEL: (listed as barium, soluble compounds) 1.5 mg/m3 STEL (as Ba) United States OSHA: 0.5 mg/m3 TWA (as Ba) (listed under Barium, soluble compounds).
Belgium - TWA: (listed as barium, soluble compounds): 0.5 mg/m3 V (as Ba) France - VME: (listed as barium, soluble compounds): 0.5 mg/m3 VM (as Ba) Germany: (listed as barium, soluble compounds): 0.5 mg/m3 VME (as Malaysia: (listed as barium, soluble compounds): 0.5 mg/m3 TWA (a Ba) Netherlands: (listed as barium, soluble compounds): 0.5 mg/m3 MAC Ba) Spain: (listed as barium, soluble compounds): 0.5 mg/m3 VLA-ED (a Ba) Personal Protective Equipment Eyes: Wear appropriate protective eyeglasses or chemical safety goggles as described by OSHA's eye and face protection regulations in 29 CFR 1910.133 or European Standard EN166.
Skin:
Wear appropriate protective gloves to prevent skin exposure.
Clothing:
Wear appropriate protective clothing to prevent skin exposure.
Respirators:
Follow the OSHA respirator regulations found in 29 CFR 1910.134 or European Standard EN 149. Use a NIOSH/MSHA or European Standard EN 149 approved respirator if exposure limits are exceeded or if irritation or other symptoms are experienced.

Section 9 - PHYSICAL AND CHEMICAL PROPERTIES
 
Physical State: Powder
Color: white
Odor: Not available.
pH: Not available.
Vapor Pressure: Not available.
Viscosity: Not available.
Boiling Point: Not available.
Freezing/Melting Point: Not available.
Autoignition Temperature: Not available.
Flash Point: Not available.
Explosion Limits, lower: Not available.
Explosion Limits, upper: Not available.
Decomposition Temperature:
Solubility in water: Soluble.
Specific Gravity/Density: 3.5800g/cm3
Molecular Formula: BaBr2.2H2O
Molecular Weight: 333.19

Section 10 - STABILITY AND REACTIVITY
  Chemical Stability:
Stable under normal temperatures and pressures. Not currently available.
Conditions to Avoid:
Dust generation, moisture.
Incompatibilities with Other Materials:
Acids.
Hazardous Decomposition Products:
Barium oxide, hydrogen bromide.
Hazardous Polymerization: Has not been reported

Section 11 - TOXICOLOGICAL INFORMATION
  RTECS#:
CAS# 7791-28-8 unlisted.
CAS# 10553-31-8 unlisted.
LD50/LC50:
Not available.
Not available.
Carcinogenicity:
Barium bromide dihydrate - Not listed by ACGIH, IARC, or NTP.
Barium bromide, anhydrous - Not listed by ACGIH, IARC, or NTP.

Section 12 - ECOLOGICAL INFORMATION
 

Section 13 - DISPOSAL CONSIDERATIONS
  Dispose of in a manner consistent with federal, state, and local regulations.

Section 14 - TRANSPORT INFORMATION
 
IATA
Shipping Name: BARIUM COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 1564
Packing Group: III
IMO
Shipping Name: BARIUM COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 1564
Packing Group: III
RID/ADR
Shipping Name: BARIUM COMPOUND, N.O.S.
Hazard Class: 6.1
UN Number: 1564
Packing group: III

Section 15 - REGULATORY INFORMATION
 
European/International Regulations
European Labeling in Accordance with EC Directives
Hazard Symbols: XN
Risk Phrases:
R 20/22 Harmful by inhalation and if swallowed.
Safety Phrases:
S 28A After contact with skin, wash immediately with
plenty of water.
WGK (Water Danger/Protection)
CAS# 7791-28-8: 1
CAS# 10553-31-8: No information available.
Canada
CAS# 10553-31-8 is listed on Canada's NDSL List.
CAS# 7791-28-8 is not listed on Canada's Ingredient Disclosure List.
CAS# 10553-31-8 is not listed on Canada's Ingredient Disclosure List.
US FEDERAL
TSCA
CAS# 7791-28-8 is not on the TSCA Inventory because it is a hydrate.
It is considered to be listed if the CAS number for the anhydrous form
is on the inventory (40CFR720.3(u)(2)).
CAS# 10553-31-8 is listed on the TSCA inventory.


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:2

3.氢键受体数量:4

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2

7.重原子数量:5

8.表面电荷:0

9.复杂度:0

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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